PRODUCTS

HEXANEDIOIC ACID

Hexanedioic acid also known as Adipic acid is a dibasic acid with the molecular formula C3H8O4, CAS 124-04-9.
Hexanedioic acid is slightly soluble in water and soluble in alcohol and acetone.
Hexanedioic acid is the most important dicarboxylic acid with roughly 2.5 billion kilograms produced annually and mainly used as a precursor to nylon production.

CAS Number: 124-04-9
EC Number: 204-673-3
Molecular Formula: C6H10O4
Molar Mass: 146.14 g/mol

Hexanedioic Acid, also known as Adipic acid, is a dicarboxylic acid.
Hexanedioic acid is an intermediate for nylon and a precursor in the synthesis of polyester polyols for polyurethane systems and thermoplastic polyurethanes.
Hexanedioic acid is colorless crystalline powder.

Hexanedioic acid is an organic dicarboxylic acid.
Available in various quantities, Hexanedioic acid is used as a monomer in nylon production.
Other applications include use as a monomer for polyurethane production, a component of controlled-release drugs, and a food additive.

Hexanedioic acid, solid white powder, is a very important organic compound for today chemical industry.
Hexanedioic acid (AA), CAS number is 124-04-9, is a dicarboxylic acid with the formula: (CH2)4(COOH)2; for the chemical point of view, 1,6 Hexanedioic acid.

The main Hexanedioic acid application is the production of nylon by a polycondensation reaction.
Nylons are produced by the reaction of bifunctional monomers containing equal parts of amine and carboxylic acid.
Besides the production of Nylon 6,6 as well as specialty nylon grades, Hexanedioic acid, CAS 124-04-9, finds many other applications, like polyester polyols for polyurethanes (PU), manufacturing of resins for paper products, unsaturated polyester resins, adipates production, plasticizers for PVC and a small share of the market is ingredient for food and medication.

90% of Hexanedioic acid is consumed in the industry for the production of nylon by poly-condensation with hexamethylenediamine.
Hexanedioic acid is mainly used for the production of nylon 6,6 polymer for fibers and plastics.

Nylon has a protein-like structure.
Hexanedioic acid can be further processed into the fibers for applications in carpets (felts), automobile tire cords and clothing.

Hexanedioic acid can be used in the production of Hexanedioic acid plasticizer and lubricant components.
Hexanedioic acid can be used in the production of polyester polyols for polyurethane systems.

Technical grade Hexanedioic acid can be used to produce plasticizers, to add flexibility and to give flexibility to unsaturated polyesters.
Hexanedioic acid can be used in the production of rigid and flexible foams, in the production of wire coaters, elastomers and adhesives, to increase the flexibility of alkyd resins, in the production of wet strong resins and in the production of synthetic lubricants and oils for the paper chemical industry.

Hexanedioic acid, mol wt 146.14, HOOCCH2CH2CH,CH2COOH, is a white crystalline solid with a melting point of about 152°C.
Little of this dicarboxylic acid occurs naturally, but Hexanedioic acid is produced on a very large scale at several locations around the world.

The majority of this material is used in the manufacture of Nylon-6,6 polyamide, which is prepared by reaction with 1,6-hexanediamine.
Hexanedioic acid is a colorless, odorless, sour-tasting crystalline solid that undergoes reactions including esterification, amidation, reduction, halogenation, salt formation, and dehydration.

Hexanedioic acid also undergoes several industrially significant polymerization reactions.
Hexanedioic acid historically has been manufactured predominantly from cyclohexane.
However, much research continues to be directed to alternative feedstocks, especially butadiene and cyclohexene, as dictated by shifts in hydrocarbon pricing.

Air quality regulations may exert further pressure for alternative routes as manufacturers seek to avoid NOx abatement costs.
When dispersed as a dust, Hexanedioic acid is subject to normal dust explosion hazards.

The material is an irritant, especially upon contact with the mucous membranes.
Protective goggles or face shields should be worn when handling the material.

The material should be stored in corrosion-resistant containers, away from alkaline or strong oxidizing materials.
Hexanedioic acid is a very large-volume organic chemical and is one of the top 50 chemicals produced in the United States in terms of volume, although demand is highly cyclic.

Hexanedioic acid for nylon takes ∼60% of U.S. cyclohexane production.
Hexanedioic acid is relatively nontoxic.

Hexanedioic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year.
Hexanedioic acid is used mainly in the production of nylon.
Hexanedioic acid occurs relatively rarely in nature.

Hexanedioic acid has a tart taste and is also used as an additive and gelling agent in jello or gelatins.
Hexanedioic acid is also used in some calcium carbonate antacids to make them tart.

Hexanedioic acid has also been incorporated into controlled-release formulation matrix tablets to obtain pH-independent release for both weakly basic and weakly acidic drugs.
Hexanedioic acid in the urine and in the blood is typically exogenous in origin and is a good biomarker of jello consumption.

In fact, a condition known as Hexanedioic aciduria is actually an artifact of jello consumption.
However, certain disorders (such as diabetes and glutaric aciduria type I.) can lead to elevated levels of Hexanedioic acid snd other dicarboxcylic acids (such as suberic acid) in urine.

Moreover, Hexanedioic acid is also found to be associated with 3-hydroxy-3-methylglutaryl-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism.
Hexanedioic acid is also microbial metabolite found in Escherichia.

Hexanedioic acid or hexanedioic acid is the organic compound with the formula (CH2)4(COOH)2.
From an industrial perspective, Hexanedioic acid is the most important dicarboxylic acid: about 2.5 billion kilograms of this white crystalline powder are produced annually, mainly as a precursor for the production of nylon.

Hexanedioic acid otherwise rarely occurs in nature, but Hexanedioic acid is known as manufactured E number food additive E355.
Salts and esters of Hexanedioic acid are known as adipates.

Hexanedioic acid is a white crystalline solid.
Hexanedioic acid is insoluble in water.

The primary hazard is the threat to the environment.
Immediate steps should be taken to limit Hexanedioic acid spread to the environment.
Hexanedioic acid is used to make plastics and foams and for other uses.

Hexanedioic acid is a straight-chain aliphatic dicarboxylic acid, commonly used in the manufacturing of nylon-6,6 and plasticizers.
Conventionally Hexanedioic acid was manufactured from petrochemicals but in recent days Hexanedioic acid can be synthesized from renewable substrates by means of biological methods.

Hexanedioic acid, or more formally hexanedioic acid, is a white crystalline solid that melts at 152 ºC.
Hexanedioic acid is one of the most important monomers in the polymer industry.

Hexanedioic acid is found in beet juice, but the article of commerce—≈2.5 million tonnes of Hexanedioic acid per year—is manufactured.
In 1906, French chemists L. Bouveault and R. Locquin reported that Hexanedioic acid can be produced by oxidizing cyclohexanol.
Today, the most common manufacturing process is the nitric acid (HNO3) oxidation of a cyclohexanol–cyclohexanone mixture called KA (for ketone–alcohol) oil.

Almost all Hexanedioic acid is used as a comonomer with hexamethylenediamine to produce nylon 6-6.
Hexanedioic acid is also used to manufacture other polymers such as polyurethanes.

Using HNO3 to produce Hexanedioic acid has its downside: Copious amounts of nitrous oxide (N2O), a greenhouse gas, are coproduced and released into the atmosphere.
In late 2014, K. C. Hwang and A. Sagadevan of National Tsing Hua University (Hsinchu City, Taiwan) reported a process that uses ozone and ultraviolet (UV) light to oxidize KA oil to Hexanedioic acid.

This method eliminates the production of N2O.
But before the process can be used commercially, problems associated with the formation of organic peroxides from ozone and the difficulty of using UV light on a large scale must be overcome.

Applications of Hexanedioic acid:
Hexanedioic acid is used to make nylon, polyurethane foams, lubricants, and plasticizers.
Hexanedioic acid is used in adhesives, baking powder, and food flavoring.

The major markets for Hexanedioic acid include use as feedstocks for nylon 6,6 resins and fibers, polyester polyols and plasticzers.
Documented applications for Hexanedioic acid are as a lubricant additive in coatings and foams and shoe soles, as a tanning agent in the leather industry, as a pH regulator in processes such as the manufacture of cleaning agents, as a pelletizing agent in disinfectant pills for drinking water, as an additive in flue gas sulphation, in dishwasher tablets.

Hexanedioic acid is used as an additive in coating and chemicals.
Hexanedioic acid is used as an acidulant in dry powdered food mixtures, especially in those products having delicate flavors & where addition of a tang to the flavor is undesirable.

Hexanedioic acid addition to foods imparts a smooth, tart taste.
In grape-flavored products, Hexanedioic acid adds a lingering supplementary flavor and gives an excellent set to food powders containing gelatin.

For concentrations of Hexanedioic acid ranging from 0.5-2.4 g/100 mL, the pH varies less than half a unit.
pH is low enough to inhibit browning of most fruits and other foodstuffs.

Hexanedioic acid can be used as a starting material in the preparation of:
Aliphatic polyesters by reacting with ethyleneglycol/1,3 propyleneglycol/1,4-butanediol using inorganic acid as a catalyst.
Cyclopentanone using a weak base such as Na2CO3.
Linear polybutylene adipate (PBA) having carboxylic acids at the terminals by reacting with 1,4-butanediol.

Uses of Hexanedioic acid:
More than 92% of the production of Hexanedioic acid is dedicated for the production of nylon 6,6 by a reaction with HMD Hexamethylene diamine.
Hexanedioic acid is used in nylon is utilized in fibbers, clothing, plastics, filaments, food packaging.

Hexanedioic acid is also used in polyurethane resins, foam, shoe soles, and as food additive.
Esters of Hexanedioic acid are used as plasticizers for PVC (Polyvinyl Chloride) resins and lubricant component.

Hexanedioic acid is one of the largest chemical distributor in Europe.
Hexanedioic acid is handling the storage, transport, export & import formalities of Hexanedioic acid globally.

About 60% of the 2.5 billion kg of Hexanedioic acid produced annually is used as monomer for the production of nylon by a polycondensation reaction with hexamethylene diamine forming nylon 66.
Other major applications also involve polymers; Hexanedioic acid is a monomer for production of polyurethane and Hexanedioic acid esters are plasticizers, especially in PVC.

In medicine:
Hexanedioic acid has been incorporated into controlled-release formulation matrix tablets to obtain pH-independent release for both weakly basic and weakly acidic drugs.
Hexanedioic acid has also been incorporated into the polymeric coating of hydrophilic monolithic systems to modulate the intragel pH, resulting in zero-order release of a hydrophilic drug.

The disintegration at intestinal pH of the enteric polymer shellac has been reported to improve when Hexanedioic acid was used as a pore-forming agent without affecting release in the acidic media.
Other controlled-release formulations have included Hexanedioic acid with the intention of obtaining a late-burst release profile.

In foods:
Small but significant amounts of Hexanedioic acid are used as a food ingredient as a flavorant and gelling aid.
Hexanedioic acid is used in some calcium carbonate antacids to make them tart.

As an acidulant in baking powders, Hexanedioic acid avoids the undesirable hygroscopic properties of tartaric acid.
Hexanedioic acid, rare in nature, does occur naturally in beets, but this is not an economical source for commerce compared to industrial synthesis.

Other Uses of Hexanedioic acid:
Alcoholic beverages,
Baked goods,
Condiments,
Relishes,
Fats,
Oils,
Gelatins,
Pudding,
Gravies,
Imitation dairy,
Instant coffee,
Tea,
Meat products,
Nonalcoholic beverages,
Poultry,
Snack foods,
Adhesives and Sealants,
Alkyd resins,
Beamhouse,
Carrier for fragances,
Coal,
Crop Protection,
Environment protection,
Gas desulphurization,
Hardener and crosslinking agents for polymeres,
Manufacturing of coating,
Manufacturing of dyestuffs,
Manufacturing of fibres,
Manufacturing of herbicides,
Manufacturing of pharmaceutical agents,
Manufacturing of photochemicals,
Manufacturing of plastics,
Manufacturing of tensides,
Manufacturing of textile dyestuffs,
Manufacturing of textiles dyestuffs,
Paper Manufacture,
Plasticizers for polymeres,
Polyester,
Polyester resins,
Polymer auxiliaries,
Soaking,
Synthetic lubricants,
Textile dyestuffs.

Production of Hexanedioic acid:
Hexanedioic acid is white, crystalline compound mainly obtained by oxidation of cyclohexanol and cyclohexanone with nitric acid.
An alternative method of production of Hexanedioic acid is the hydrocarbonylation of butadiene, oxidation cleavage of cyclohexene.

Manufacturing Methods of Hexanedioic acid:
Commercially important processes employ two major reaction stages.
The first reaction stage is the production of the intermediates cyclohexanone and cyclohexanol, usually abbreviated as KA, KA oil, ol-one, or anone-anol.
The KA (ketone, alcohol), after separation from unreacted cyclohexane (which is recycled) and reaction by-products, is then converted to Hexanedioic acid by oxidation with nitric acid.

Cyclohexane is produced by the oxidation of cyclohexanol or cyclohexanone with air or nitric acid.

Preparation and Reactivity of Hexanedioic acid:
Hexanedioic acid is produced from a mixture of cyclohexanone and cyclohexanol called KA oil, the abbreviation of ketone-alcohol oil.
The KA oil is oxidized with nitric acid to give Hexanedioic acid, via a multistep pathway.

Early in the reaction, the cyclohexanol is converted to the ketone, releasing nitrous acid:
HOC6H11 + HNO3 → OC(CH2)5 + HNO2 + H2O

Among Hexanedioic acid many reactions, the cyclohexanone is nitrosated, setting the stage for the scission of the C-C bond:
HNO2 + HNO3 → NO+NO3− + H2O
OC6H10 + NO+ → OC6H9-2-NO + H+

Side products of the method include glutaric and succinic acids.
Nitrous oxide is produced in about one to one mole ratio to the Hexanedioic acid, as well, via the intermediacy of a nitrolic acid.

Related processes start from cyclohexanol, which is obtained from the hydrogenation of phenol.

Alternative methods of production:
Several methods have been developed by carbonylation of butadiene.

For example, the hydrocarboxylation proceeds as follows:
CH2=CH−CH=CH2 + 2 CO + 2 H2O → HO2C(CH2)4CO2H

Another method is oxidative cleavage of cyclohexene using hydrogen peroxide.
The waste product is water.

Historically, Hexanedioic acid was prepared by oxidation of various fats, thus the name (ultimately from Latin adeps, adipis – "animal fat"; cf. adipose tissue).

Reactions:
Hexanedioic acid is a dibasic acid (Hexanedioic acid has two acidic groups).
The pKa values for their successive deprotonations are 4.41 and 5.41.

With the carboxylate groups separated by four methylene groups, Hexanedioic acid is suited for intramolecular condensation reactions.
Upon treatment with barium hydroxide at elevated temperatures, Hexanedioic acid undergoes ketonization to give cyclopentanone.

Environmental of Hexanedioic acid:
The production of Hexanedioic acid is linked to emissions of N2O, a potent greenhouse gas and cause of stratospheric ozone depletion.

At Hexanedioic acid producers DuPont and Rhodia (now Invista and Solvay, respectively), processes have been implemented to catalytically convert the nitrous oxide to innocuous products:
2 N2O → 2 N2 + O2

Adipate salts and esters:
The anionic (HO2C(CH2)4CO2−) and dianionic (−O2C(CH2)4CO2−) forms of Hexanedioic acid are referred to as adipates.
An adipate compound is a carboxylate salt or ester of the acid.

Some adipate salts are used as acidity regulators, including:
Sodium adipate (E number E356)
Potassium adipate (E357)

Some adipate esters are used as plasticizers, including:
Bis(2-ethylhexyl) adipate
Dioctyl adipate
Dimethyl adipate

Human Metabolite Information of Hexanedioic acid:

Tissue Locations:
Kidney
Liver

Handling and Storage of Hexanedioic acid:

Nonfire Spill Response:
Do not touch or walk through spilled material.
Stop leak if you can do Hexanedioic acid without risk.

Prevent dust cloud.
For Asbestos, avoid inhalation of dust.

Cover spill with plastic sheet or tarp to minimize spreading.
Do not clean up or dispose of, except under supervision of a specialist.

SMALL DRY SPILL:
With clean shovel, place material into clean, dry container and cover loosely.
Move containers from spill area.

SMALL SPILL:
Pick up with sand or other non-combustible absorbent material and place into containers for later disposal.

LARGE SPILL:
Dike far ahead of liquid spill for later disposal.
Cover powder spill with plastic sheet or tarp to minimize spreading.
Prevent entry into waterways, sewers, basements or confined areas.

Storage Conditions of Hexanedioic acid:

Conditions for safe storage, including any incompatibilities:
Keep container tightly closed in a dry and well-ventilated place.

Storage class (TRGS 510):
Non Combustible Solids.

Safety of Hexanedioic acid:
Hexanedioic acid, like most carboxylic acids, is a mild skin irritant.
Hexanedioic acid is mildly toxic, with a median lethal dose of 3600 mg/kg for oral ingestion by rats.

First Aid Measures of Hexanedioic acid:

General notes:
Take off contaminated clothing.

Following inhalation:
Provide fresh air.
In all cases of doubt, or when symptoms persist, seek medical advice.

Following skin contact:
Rinse skin with water/shower.
In all cases of doubt, or when symptoms persist, seek medical advice.

Following eye contact:
Irrigate copiously with clean, fresh water for at least 10 minutes, holding the eyelids apart.
In case of eye irritation consult an ophthalmologist.

Following ingestion:
Rinse mouth.
Call a doctor if you feel unwell.

INHALATION:
Remove victim to fresh air.
Get medical attention if irritation persists.

EYES:
Flush with water for at least 15 min.

SKIN:
Flush with water.

Fire Fighting of Hexanedioic acid:

SMALL FIRE:
Dry chemical, CO2, water spray or regular foam.

LARGE FIRE:
Water spray, fog or regular foam.
Do not scatter spilled material with high-pressure water streams.

If Hexanedioic acid can be done safely, move undamaged containers away from the area around the fire.
Dike runoff from fire control for later disposal.

FIRE INVOLVING TANKS:
Cool containers with flooding quantities of water until well after fire is out.
Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.
ALWAYS stay away from tanks engulfed in fire.

Fire Fighting Procedures of Hexanedioic acid:

Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Wear self-contained breathing apparatus for firefighting if necessary.

Stop discharge if possible, keep people away.
Shut off ignition sources.

Call fire department.
Avoid contact with solid and dust.
Isolate and remove discharged material.

If material on fire or involved in fire:
Use water in flooding quantities as fog.
Solid streams of water may spread fire.

Cool all affected containers with flooding quantities of water.
Apply water from as far a distance as possible.
Use foam, dry chemical, or carbon dioxide.

Accidental Release Measures of Hexanedioic acid:

Isolation and Evacuation:

IMMEDIATE PRECAUTIONARY MEASURE:
Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.

SPILL:
Increase the immediate precautionary measure distance, in the downwind direction, as necessary.

FIRE:
If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions.
Also, consider initial evacuation for 800 meters (1/2 mile) in all directions.

Spillage Disposal of Hexanedioic acid:
Sweep spilled substance into covered plastic containers.
If appropriate, moisten first to prevent dusting.
Wash away remainder with plenty of water.

Cleanup Methods of Hexanedioic acid:

Personal precautions, protective equipment and emergency procedures:
Use personal protective equipment.
Avoid dust formation.

Avoid breathing vapors, mist or gas.
Ensure adequate ventilation.

Evacuate personnel to safe areas.
Avoid breathing dust.

Environmental precautions:
Prevent further leakage or spillage if safe to do so.
Do not let product enter drains.
Discharge into the environment must be avoided.

Methods and materials for containment and cleaning up:
Pick up and arrange disposal without creating dust.
Sweep up and shovel.
Keep in suitable, closed containers for disposal.

Environmental considerations- land spill:
Dig a pit, pond, lagoon, or holding area to contain liquid or solid material.
If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner.
Cover solids with a plastic sheet to prevent dissolving in rain or fire fighting water.

Environmental considerations- water spill:
Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom.
If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount.

Remove trapped material with suction hoses.
Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.

Electrochemical measurements have been made on the system Cu(2+), Hexanedioic acid, nitric acid (which models the effluent from Hexanedioic acid plants) to investigate the reasons for the observed low current efficiency for copper deposition from such soln.
The most probable cause is a cathodic shift in the deposition potential of copper making the reduction of NO3- the preferred process.

Depletion experiments have been carried out on real effluent in two three-dimensional cells, a bipolar trickle tower and a porous reticulated carbon bed.
Each performs reasonably well and, while the current efficiencies are low (about 20%), the deposition is essentially mass-transfer controlled.

Neutralizing agents for acids and caustics:
Rinse with dilute soda ash solution.

Identifiers of Hexanedioic acid:
CAS Number: 124-04-9
Beilstein Reference: 1209788
ChEBI: CHEBI:30832
ChEMBL: ChEMBL1157
ChemSpider: 191
ECHA InfoCard: 100.004.250
EC Number: 204-673-3
E number: E355 (antioxidants, ...)
Gmelin Reference: 3166
KEGG: D08839
PubChem CID: 196
RTECS number: AU8400000
UNII: 76A0JE0FKJ
UN number: 3077
CompTox Dashboard (EPA): DTXSID7021605

InChI:
InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Key: WNLRTRBMVRJNCN-UHFFFAOYSA-N
InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Key: WNLRTRBMVRJNCN-UHFFFAOYAY

SMILES:
O=C(O)CCCCC(=O)O
C(CCC(=O)O)CC(=O)O

CAS number: 124-04-9
EC index number: 607-144-00-9
EC number: 204-673-3
Hill Formula: C₆H₁₀O₄
Molar Mass: 146.14 g/mol
HS Code: 2917 12 00

CAS Number: 124-04-9
Molecular Weight: 146.14
Beilstein: 1209788
EC Number: 204-673-3
MDL number: MFCD00004420
eCl@ss: 39021711
PubChem Substance ID: 57653836
NACRES: NA.21

CAS: 124-04-9
Molecular Formula: C6H10O4
Molecular Weight (g/mol): 146.142
MDL Number: MFCD00004420
InChI Key: WNLRTRBMVRJNCN-UHFFFAOYSA-N
PubChem CID: 196
ChEBI: CHEBI:30832
IUPAC Name: hexanedioic acid
SMILES: C(CCC(=O)O)CC(=O)O

Properties of Hexanedioic acid:
Chemical formula: C6H10O4
Molar mass: 146.142 g·mol−1
Appearance: White crystals[1]
Monoclinic prisms[2]
Odor: Odorless
Density: 1.360 g/cm3
Melting point: 152.1 °C (305.8 °F; 425.2 K)
Boiling point: 337.5 °C (639.5 °F; 610.6 K)
Solubility in water: 14 g/L (10 °C)
24 g/L (25 °C)
1600 g/L (100 °C)
Solubility: Very soluble in methanol, ethanol
soluble in acetone, acetic acid
slightly soluble in cyclohexane
negligible in benzene, petroleum ether
log P: 0.08
Vapor pressure: 0.097 hPa (18.5 °C) = 0.073 mmHg
Acidity (pKa): 4.43, 5.41
Conjugate base: Adipate
Viscosity: 4.54 cP (160 °C)

Density: 1.36 g/cm3 (25 °C)
Flash point: 196 °C
Ignition temperature: 405 °C
Melting Point: 150.85 °C
pH value: 2.7 (23 g/l, H₂O, 25 °C)
Vapor pressure: 0.097 hPa (18.5 °C)
Bulk density: 700 kg/m3
Solubility: 15 g/l

General Properties: White, solid crystals
Odor: Odorless
Intensity: 1.360 g/cm3
Boiling point: 337,5°C
Melting point: 152,1 °C
Flash point: 196°C
Vapor pressure: 0,0073 mmHg (18,5 °C)
Refraction index: –
Solubility (aquenous): 14g/L (10°C), 1600 g/L (100°C)

Vapor density: 5 (vs air)
Quality Level: 200
Vapor pressure: 1 mmHg ( 159.5 °C)
Assay: 99%
Form: crystals
Autoignition temp.: 788 °F
bp: 265 °C/100 mmHg (lit.)
mp: 151-154 °C (lit.)
Solubility: H2O: soluble 23 g/L at 25 °C
SMILES string: OC(=O)CCCCC(O)=O
InChI: 1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI key: WNLRTRBMVRJNCN-UHFFFAOYSA-N

Molecular Weight: 146.14
XLogP3: 0.1
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 5
Exact Mass: 146.05790880
Monoisotopic Mass: 146.05790880
Topological Polar Surface Area: 74.6 Å²
Heavy Atom Count: 10
Complexity: 114
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Specifications of Hexanedioic acid:
Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 150 °C
Melting range (upper value): ≤ 154 °C
Identity (IR): passes test

Melting Point: 151.0°C to 153.0°C
Boiling Point: 337.0°C
CAS Min %: 98.5
CAS Max %: 100.0
Color: White
Assay Percent Range: 99%
Linear Formula: HO2C(CH2)4CO2H
Beilstein: 02, 649
Fieser: 01,15
Merck Index: 15, 150
Formula Weight: 146.14
Percent Purity: 99%
Quantity: 500 g
Flash Point: 196°C
Infrared Spectrum: Authentic
Packaging: Plastic bottle
Physical Form: Crystalline Powder
Chemical Name or Material: Hexanedioic acid

Structure of Hexanedioic acid:
Crystal structure: Monoclinic

Thermochemistry of Hexanedioic acid:
Std enthalpy of formation (ΔfH⦵298): −994.3 kJ/mol[3

Related Products of Hexanedioic acid:
Hydroxynorketamine-d6 Hydrochloride
(S)-Ketamine-d6 Hydrochloride
Norketamine-d4
S-(-)-Norketamine-d6 Hydrochloride
Phencyclidine-d5 Hydrochloride

Related compounds of Hexanedioic acid:

Related dicarboxylic acids:
glutaric acid
pimelic acid

Related compounds:
hexanoic acid
adipic acid dihydrazide
hexanedioyl dichloride
hexanedinitrile
hexanediamide

Names of Hexanedioic acid:

Preferred IUPAC name:
Hexanedioic acid

Other names:
Adipic acid
Butane-1,4-dicarboxylic acid
Hexane-1,6-dioic acid
1,4-butanedicarboxylic acid

Synonyms of Hexanedioic acid:
adipic acid
hexanedioic acid
124-04-9
Adipinic acid
1,4-Butanedicarboxylic acid
Adilactetten
Acifloctin
Acinetten
1,6-Hexanedioic acid
Molten adipic acid
Kyselina adipova
Adipinsaure [German]
Acide adipique [French]
FEMA No. 2011
Kyselina adipova [Czech]
Hexanedioate
Adipinsaeure
adipic-acid
Adipidic acid
Adi-pure
NSC 7622
Adipic acid [NF]
NSC-7622
Hexan-1,6-dicarboxylate
76A0JE0FKJ
Hexanedioc acid
INS NO.355
1,6-HEXANE-DIOIC ACID
E-355
CHEBI:30832
INS-355
NSC7622
Adipic acid (NF)
NCGC00091345-01
E355
hexane-1,6-dioic acid
Adipinsaure
Acide adipique
FEMA Number 2011
CAS-124-04-9
CCRIS 812
HSDB 188
EINECS 204-673-3
MFCD00004420
UNII-76A0JE0FKJ
BRN 1209788
Adipinate
Molten adipate
AI3-03700
hexane dioic acid
1,6-Hexanedioate
0L1
Adipic acid, 99%
Neopentyl Glycol Flake
Adipic acid-[13C6]
1, 6-Hexanedioic Acid
Adipic acid, >=99%
ADIPIC ACID [II]
ADIPIC ACID [MI]
WLN: QV4VQ
ADIPIC ACID [FCC]
bmse000424
EC 204-673-3
ADIPIC ACID [FHFI]
ADIPIC ACID [HSDB]
ADIPIC ACID [INCI]
SCHEMBL4930
CHEMBL1157
NCIOpen2_001004
NCIOpen2_001222
HOOC-(CH2)4-COOH
ADIPIC ACID [MART.]
Adipic acid, >=99.5%
4-02-00-01956 (Beilstein Handbook Reference)
ADIPIC ACID [USP-RS]
ADIPIC ACID [WHO-DD]
BIDD:ER0342
INS No. 355
DTXSID7021605
Adipic acid, puriss., 99.8%
Pharmakon1600-01301012
ADIPIC ACID [EP MONOGRAPH]
ZINC1530348
Tox21_111118
Tox21_202161
Tox21_300344
BBL011615
LMFA01170048
NSC760121
s3594
STL163338
AKOS000119031
Tox21_111118_1
CCG-230896
CS-W018238
HY-W017522
NSC-760121
NCGC00091345-02
NCGC00091345-03
NCGC00091345-04
NCGC00091345-05
NCGC00254389-01
NCGC00259710-01
AC-10343
BP-21150
BP-30248
Hexanedioic Acid, Butanedicarboxylic Acid
A0161
Adipic acid, BioXtra, >=99.5% (HPLC)
Adipic acid, SAJ special grade, >=99.5%
E 355
FT-0606810
EN300-18041
Adipic acid, Vetec(TM) reagent grade, >=99%
C06104
D08839
D70505
AB00988898-01
AB00988898-03
Q357415
SR-01000944270
J-005034
J-519542
SR-01000944270-2
Z57127533
Adipic acid, certified reference material, TraceCERT(R)
F0001-0377
Adipic acid, European Pharmacopoeia (EP) Reference Standard
1F1316F2-7A32-4339-8C2A-8CAA84696C95
Adipic acid, United States Pharmacopeia (USP) Reference Standard
124-04-9 [RN]
204-673-3 [EINECS]
Acide adipique [French] [ACD/IUPAC Name]
Adipic acid [ACD/IUPAC Name] [Wiki]
Adipinsäure [German] [ACD/IUPAC Name]
Asapic
Hexanedioic acid [ACD/Index Name]
Inipol DS
kwas adypinowy [Polish]
kyselina adipová [Czech]
MFCD00004420 [MDL number]
1,4-butanedicarboxylic acid
1,6-HEXANEDIOIC ACID
1,6-HEXANE-DIOIC ACID
121311-78-2 [RN]
19031-55-1 [RN]
2-Oxoadipic acid
52089-65-3 [RN]
Acifloctin
Acinetten
Adilactetten
Adipic Acid FCC
adipicacid
adipinic acid
Butane-1,4-dicarboxylic acid
BUTANEDICARBOXYLIC ACID
Hexanedioic-3,3,4,4-d4 Acid
hydron [Wiki]
QV4VQ [WLN]