PRODUCTS

1,3-BUTANEDIOL

1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.
With two alcohol functional groups, 1,3-Butanediol is classified as a diol.
1,3-Butanediol is also chiral, but most studies do not distinguish the enantiomers.

CAS Number: 107-88-0
EC Number: 203-529-7
Chemical formula: CH₃CH(OH)CH₂CH₂OH
Molar Mass: 90.12 g/mol

Synonyms: Butane-1,3-diol, 1,3-butylene glycol, butane-1,3-diol, 1,3-dihydroxybutane, 1,3-BUTANEDIOL, Butane-1,3-diol, 107-88-0, 1,3-Butylene glycol, Butylene glycol, 1,3-Dihydroxybutane, Methyltrimethylene glycol, 1,3 Butylene glycol, 1,3-Butandiol, beta-Butylene glycol, (RS)-1,3-Butandiol, (+/-)-1,3-Butanediol, 1-Methyl-1,3-propanediol, 1,3-Butylenglykol, Caswell No. 128GG, 1,3-Butanodiol, HSDB 153, .beta.-Butylene glycol, NSC 402145, NSC-402145, (R)-1,3-butanediol, UNII-3XUS85K0RA, BD, EINECS 203-529-7, 3XUS85K0RA, BRN 1731276, DTXSID8026773, CHEBI:52683, AI3-11077, BUTANEDIOL,1,3-, DTXCID306773, NSC6966, EC 203-529-7, 0-01-00-00477 (Beilstein Handbook Reference), NSC402145, BUTYLENE GLYCOL (II), BUTYLENE GLYCOL [II], BUTANE-1,3-DIOL (USP-RS), BUTANE-1,3-DIOL [USP-RS], 1,3-butane diol, CAS-107-88-0, 1,3-Butanediol, (R)-, 1,3-Butanediol, (S)-, MFCD00064277, MFCD00064278, b-Butylene glycol, Herbal Moxibustion, 1.3-butanediol, 1,3 -butanediol, MFCD00004554, DL-1,3-butanediol, Chinese medicine patch, Butylene glycol (NF), (S)-(+)-butanediol, racemic 1,3-butanediol, BUTANEDIOL,3-, 1,3-butanediol, DL-, (RS)-1,3-Butanediol, Natural Oriental Herb Care, (+/-) 1,3 butandiol, (+/-)-1,3-butandiol, BUTYLENE GLYCOL [INCI], (.+/-.)-1,3-Butanediol, CHEMBL3186475, WLN: QY1 & 2Q, 1,3-BUTANEDIOL [HSDB], acmeros Lubricant X0026F3541, 1,3-BUTANDIOL [WHO-DD], ShiZhenTaiYiTang Moxibustion Patch, LingLongJiuHuo Linglong Moxibustion, QIZHOUGUAI Chinese medicine patch, 1,3-Butanediol, (.+/-.)-, 1,3-BUTYLENE GLYCOL [MI], NSC-6966, 1,3-BUTYLENE GLYCOL [FCC], Tox21_202408, Tox21_300085, 1,3 BUTYLENE GLYCOL [FHFI], BBL037424, Butylene Glycol (Butane-1,3-diol), HY-77490A, STL483070, AKOS000119043, DB14110, SB44648, SB44659, SB83779, 1,3 BUTYLENE GLYCOL, (+/-), NCGC00247900-01, NCGC00247900-02, NCGC00253944-01, NCGC00259957-01, SY049450, SY051259, 1,3 BUTYLENE GLYCOL, (+/-)-, 3CE SUPER SLIM PEN EYE LINER BLACK, 3CE SUPER SLIM PEN EYE LINER BROWN, (+/-)-1,3-Butanediol, analytical standard, B0679, B3770, CS-0115644, FT-0605126, FT-0605294, FT-0606593, EN300-19320, (+/-)-1,3-Butanediol, anhydrous, >=99%, 1,3-Butanediol 100 microg/mL in Acetonitrile, C20335, D10695, F82621, 3CE SUPER SLIM PEN EYE LINER LIGHT BROWN, Q161496, (+/-)-1,3-Butanediol, ReagentPlus(R), 99.5%, 3CE SUPER SLIM PEN EYE LINER BURGUNDY BROWN, J-002028, (+/-)-1,3-Butanediol, ReagentPlus(R), >=99.0%, (+/-)-1,3-Butanediol, SAJ first grade, >=98.0%, (+/-)-1,3-Butanediol, Vetec(TM) reagent grade, 98%, F8880-3340, LingLongJiuHuo Linglong Moxibustion Wormwood Moxibustion Patch, Butane-1,3-diol, United States Pharmacopeia (USP) Reference Standard, 55251-78-0, β-Butylene glycol, Methyltrimethylene glycol, 1-Methyl-1,3-propanediol, 1,3-Butylene glycol, 1,3-Dihydroxybutane, Butane-1,3-diol, BD, 1,3-Butandiol, 1,3-Butylenglykol, 1,3-Butanodiol, Butanediol,1,3-, (RS)-1,3-Butanediol, Butylene glycol, NSC 402145, 1,3-Butanediol, (RS)-1,3-Butanediol, 1,3-Butylene glycol, 1,3-Dihydroxybutane, 1-Methyl-1,3-propanediol, 13BGK, 3-Hydroxy-1-butanol, Butylene glycol, DL-1,3-Butanediol, Jeechem Bugl, Methyltrimethylene glycol, NSC 402145, Niax DP 1022, (+/-)-Butane-1,3-diol, beta-Butylene glycol, (RS)-1,3-Butandiol, 1,3 Butylene glycol, 1,3-Butandiol, 1,3-Butylene glycol, 1,3-Butylenglykol, 1,3-Dihydroxybutane, 1-Methyl-1,3-propanediol, beta-Butylene glycol, Methyltrimethylene glycol, b-Butylene glycol, Β-butylene glycol, 1,3-Butylene glycol, (14)C-labeled, 1,3-Butylene glycol, (DL)-isomer, 1,3-Butylene glycol, (R)-isomer, 1,3-Butylene glycol, (S)-isomer, Butylene glycol HMDB, (+/-)-1,3-butanediol, (.+/-.)-1,3-butanediol, (R)-(-)-Butane-1,3-diol, (R)-1,3-Butanediol, (S)-(+)-1,3-Butanediol, (S)-(+)-Butane-1,3-diol, (S)-1,3-Butanediol, 1,3-Butanodiol, BD, Butane-1,3-diol, DL-1,3-Butanediol, 1,3-Butanediol

1,3-Butanediol is used in flavoring.
1,3-Butanediol is a butanediol compound having two hydroxy groups in the 1- and 3-positions.

1,3-Butanediol is a butanediol and a glycol.
1,3-Butanediol is found in pepper (c. annuum).

1,3-Butanediol is a solvent for flavouring agents.
1,3-Butanediol is an organic chemical, an alcohol.

1,3-Butanediol is commonly used as a solvent for food flavouring agents and is a co-monomer used in certain polyurethane and polyester resins.
1,3-Butanediol is one of four stable isomers of butanediol.

1,3-Butanediol belongs to the family of Secondary Alcohols.
These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).

1,3-Butanediol is miscible with water.
1,3-Butanediol is a chiral compound that belongs to the group of organic compounds called diols.

1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition.
1,3-Butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect.

1,3-Butanediol is a building block for proteomics research.
1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.

With two alcohol functional groups, 1,3-Butanediol is classified as a diol.
1,3-Butanediol is also chiral, but most studies do not distinguish the enantiomers.

1,3-Butanediol is a colorless, bittersweet, water-soluble liquid.
1,3-Butanediol is one of four common structural isomers of butanediol.

1,3-Butanediol is found in pepper (c. annuum).
1,3-Butanediol is a solvent for flavouring agents it is an organic chemical, an alcohol.

In biology, 1,3-Butanediol is used as a hypoglycaemic agent.
1,3-Butanediol belongs to the family of Secondary Alcohols.

These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3-Butanediol is an organic compound with the formula CH3CH(OH)CH2CH2OH.

With two alcohol functional groups, 1,3-Butanediol is classified as a diol.
1,3-Butanediol is also chiral, but most studies do not distinguish the enantiomers.

1,3-Butanediol is a colorless, bittersweet, water-soluble liquid.
1,3-Butanediol is one of four common structural isomers of butanediol.

1,3-Butanediol is an organic alcohol with antimicrobial activity against a wide variety of pathogens.
1,3-Butanediol is an organic chemical which belongs to the family of secondary alcohols.

1,3-Butanediol, also known as b-butylene glycol or BD, belongs to the class of organic compounds known as secondary alcohols.
Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).

1,3-Butanediol is a bitter and odorless tasting compound.
1,3-Butanediol has been detected, but not quantified, in several different foods, such as green bell peppers, orange bell peppers, pepper (c. annuum), red bell peppers, and yellow bell peppers.

This could make 1,3-Butanediol a potential biomarker for the consumption of these foods.
A butanediol compound having two hydroxy groups in the 1- and 3-positions.
1,3-Butanediol belongs to the class of organic compounds known as secondary alcohols.

Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
1,3-Butanediol, an ethanol dimer providing a source of calories for human nutrition.
1,3-Butanediol is converted in the body to β-hydroxybutyrate and has cerebral protective and hypoglycaemic effect.
1,3-Butanediol is a colorless, odorless liquid, water miscible.

Uses of 1,3-Butanediol:
1,3-Butanediol is used in the fermentation of Candida parapsilosis and other yeast species to produce enantiomerically pure (S)-(-)-1,3-butanediol.
The racemate can be converted into the two enantiomers by chemical means or by enzymatic resolution.

The process for large-scale production is similar to that for ethanol fermentation, but with 2-propanol as substrate instead of glucose.
The fermentor has been shown to be effective at producing large quantities of 1,3-Butanediol in a short time period.

1,3-Butanediol acts as a co-monomer in the production of polyurethane and polyester resins.
1,3-Butanediol is used as a humectant (to prevent loss of moisture) in cosmetics, especially in hair sprays and setting lotions.

1,3-Butanediol is used in surfactants, inks, solvents for natural and synthetic flavorings.
1,3-Butanediol is involved in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycemic agents, which is used in the treatment of diabetes.

In biology, 1,3-Butanediol is used as a hypoglycaemic agent.
1,3-Butanediol is used Solvent, monomer used in polyurethane and polyester resins, analytical reagent, and substrate for organic syntheses.

1,3-Butanediol is used to regulate the metabolism of carbohydrate and lipid.
1,3-Butanediol acts as a co-monomer in the production of polyurethane and polyester resins.

1,3-Butanediol is used as a humectant (to prevent loss of moisture) in cosmetics, especially in hair sprays and setting lotions.
1,3-Butanediol is used in surfactants, inks, solvents for natural and synthetic flavorings.

1,3-Butanediol is involved in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as euglycemic agents, which is used in the treatment of diabetes.
1,3-Butanediol is used in flavoring.

1,3-Butanediol is used as a hypoglycaemic agent.
1,3-Butanediol may be used as a reference standard in the determination of (±)-1,3-butanediol in biological samples using wide-bore column gas chromatography coupled to flame ionization detector.

1,3-Butanediol has been detected in green bell peppers, orange bell peppers, pepper (Capsicum annuum), red bell peppers, and yellow bell peppers.
1,3-Butanediol, also referred to as 1,3-Butylene glycol, maintains FDA GRAS status as a flavor molecule.
1,3-Butanediol can also serve as a humectant to prevent loss of moisture in cosmetics, particularly in hair sprays and setting lotions.

Besides, 1,3-Butanediol is pharmaceutically involved in the production of colchicine derivatives as a anticancer agent and in the synthesis of dual peroxisome proliferator-activated gamma and delta agonists acting as a hypoglycaemic agent.
At present, 1,3-Butanediol is used mainly in surfactants, inks, solvents for natural and synthetic flavoring agents and serves as a co-monomer in manufacturing certain polyurethane and polyester resins.

Applications of 1,3-Butanediol:

Pharmaceutical Applications:
1,3-Butanediol is used as a solvent and cosolvent for injectables.
1,3-Butanediol is used in topical ointments, creams, and lotions, and it is also used as a vehicle in transdermal patches.
1,3-Butanediol is a good solvent for many pharmaceuticals, especially estrogenic substances.

In an oil-in-water emulsion, butylene glycol exerts its best antimicrobial effects at ～8% concentration.
Higher concentrations above 16.7% are required to inhibit fungal growth.

Contact allergens:
This dihydric alcohol is used for its humectant and preservative potentiator properties in cosmetics, topical medicaments and polyurethane, polyester, cellophane, and cigarettes.
1,3-Butanediol has similar properties, but is less irritant than propylene glycol.
Contact allergies seem to be rare.

Benefits of 1,3-Butanediol:
1,3-Butanediol is a colorless, viscous liquid with a slightly sweet and bitter taste.
1,3-Butanediol has strong hygroscopic properties and can dissolve in water, ethanol, acetone, methyl ethyl ketone, castor oil,..

Production of 1,3-Butanediol:

Hydrogenation of 3-hydroxybutanal gives 1,3-Butanedioll:
CH3CH(OH)CH2CHO + H2 → CH3CH(OH)CH2CH2OH

Dehydration of 1,3-Butanediol gives 1,3-butadiene:
CH3CH(OH)CH2CH2OH → CH2=CH-CH=CH2 + 2 H2O

Background and overview 1,3-Butanediol is mainly used as a moisturizer in cosmetics and has good antibacterial effects.
1,3-Butanediol can be used in the production of various lotions, ointments and toothpaste.

Occurrence of 1,3-Butanediol:
1,3-Butanediol is used as a hypoglycaemic agent.
1,3-Butanediol has been detected in green bell peppers, orange bell peppers, pepper (Capsicum annuum), red bell peppers, and yellow bell peppers.
1,3-Butanediol, also referred to as 1,3-Butylene glycol, maintains FDA GRAS status as a flavor molecule.

Compound Type of 1,3-Butanediol:
Flavouring Agent
Food Toxin
Household Toxin
Industrial/Workplace Toxin
Metabolite
Natural Compound
Organic Compound
Plant Toxin
Solvent

Alternative Parents of 1,3-Butanediol:
Primary alcohols
Hydrocarbon derivatives

Substituents of 1,3-Butanediol:
Secondary alcohol
Hydrocarbon derivative
Primary alcohol
Aliphatic acyclic compound

Related Compounds of 1,3-Butanediol:

Related butanediol:
1,2-Butanediol
1,4-Butanediol
2,3-Butanediol

Related compounds:
2-Methylpentane

Handling And Storage of 1,3-Butanediol:

Conditions for safe storage, including any incompatibilities:

Storage conditions:
Tightly closed.
hygroscopic

Stability And Reactivity of 1,3-Butanediol:

Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature) .

Incompatible materials:
No data available

Safety Profile of 1,3-Butanediol:
Inhalation of vapors or mists may cause respiratory irritation.

1,3-Butanediol's important to work in well-ventilated areas or use appropriate respiratory protection when necessary.
Prolonged or repeated skin contact may cause irritation. Contact with the skin should be minimized, and protective equipment, such as gloves, should be used.

Direct contact with the eyes may cause irritation.
Safety goggles or a face shield should be worn when there is a risk of splashing.

Ingesting 1,3-Butanediol can be harmful.
1,3-Butanediol is not intended for consumption, and accidental ingestion should be avoided.

Ingestion may lead to gastrointestinal irritation.
While 1,3-Butanediol itself is not highly flammable, it should be kept away from open flames and high heat.

First Aid Measures of 1,3-Butanediol:

General advice:
Show this material safety data sheet to the doctor in attendance.

If inhaled:

After inhalation:
Fresh air.

In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.

In case of eye contact:

After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.

If swallowed:

After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.

Indication of any immediate medical attention and special treatment needed:
No data available

Fire Fighting Measures of 1,3-Butanediol:

Suitable extinguishing media:
Water
Foam
Carbon dioxide (CO2)
Dry powder

Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.

Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

Accidental Release Measures of 1,3-Butanediol:

Environmental precautions:
Do not let product enter drains.

Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.

Observe possible material restrictions.
Take up with liquid-absorbent material.

Dispose of properly.
Clean up affected area.

Exposure Controls/Personal Protection of 1,3-Butanediol:

Personal protective equipment:

Eye/face protection:
Use equipment for eye protection.
Safety glasses

Skin protection:
Handle with gloves.
Wash and dry hands.

Full contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min

Splash contact:
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min

Body Protection:

Respiratory protection:

Recommended Filter type: Filter type ABEK

Control of environmental exposure:
Do not let product enter drains.

Identifiers of 1,3-Butanediol:
CAS number: 107-88-0
EC number: 203-529-7
Hill Formula: C₄H₁₀O₂
Chemical formula: CH₃CH(OH)CH₂CH₂OH
Molar Mass: 90.12 g/mol
HS Code: 2905 39 20
Density: 1.00 g/cm3 (20 °C)
Explosion limit: 1.9 - 12.6 %(V)
Flash point: 108 °C
Ignition temperature: 410 °C DIN 51794
pH value: 6.0 - 7.0 (H₂O, 20 °C)
Vapor pressure: 0.08 hPa (20 °C)
Solubility: >500 g/l miscible
Physical state: liquid
Color: colorless, clear

Chemical Formula: C4H10O2
Average Molecular Weight: 90.121
Monoisotopic Molecular Weight: 90.068079564
IUPAC Name: butane-1,3-diol
Traditional Name: 1,3-butanediol
CAS Registry Number: 107-88-0
SMILES: CC(O)CCO
InChI Identifier: InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N
Physical State : Liquid
Solubility : Soluble in water, alcohol and ketones. Insoluble in hydrocarbons.
Storage : Store at room temperature
Melting Point : -57° C
Boiling Point :203-204° C (lit.)
Density : 1.55 g/mL at 25° C (lit.)
Refractive Index : n20D 1.44 (lit.)

CAS RN: 107-88-0
Reaxys Registry Number: 1718945
PubChem Substance ID: 87563682
SDBS (AIST Spectral DB): 509
Merck Index (14): 1567
MDL Number: MFCD00004554
Molecular Weight: 90.12
Appearance: Liquid
Formula: C4H10O2
CAS No.: 107-88-0
SMILES: CC(O)CCO
Shipping: Room temperature in continental US; may vary elsewhere.
Storage:
Pure form: -20°C 3 years, 4°C 2 years
In solvent: -80°C 6 months, -20°C 1 month
Molecular Weight: 90.12g/mol
Molecular Formula: C4H10O2

Properties of 1,3-Butanediol:
Chemical formula: C4H10O2
Molar mass: 90.122 g·mol−1
Appearance: Colourless liquid
Density: 1.0053 g cm−3
Melting point: −50 °C (−58 °F; 223 K)
Boiling point: 204 to 210 °C; 399 to 410 °F; 477 to 483 K
Solubility in water: 1 kg dm−3
log P: −0.74
Vapor pressure: 8 Pa (at 20 °C)
Refractive index (nD): 1.44
Std molar entropy (S⦵298): 227.2 J K−1 mol−1
Std enthalpy of formation (ΔfH⦵298): −501 kJ mol−1
Std enthalpy of combustion (ΔcH⦵298): −2.5022 MJ mol−1
Molecular Weight: 90.12 g/mol

XLogP3-AA: -0.4
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 2
Exact Mass: 90.068079557 g/mol
Monoisotopic Mass: 90.068079557 g/mol
Topological Polar Surface Area: 40.5Å²
Heavy Atom Count: 6
Complexity: 28.7
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes

Odor: odorless
Melting point/freezing point:
Melting point/freezing point: -57 °C - ISO 3016
Initial boiling point and boiling range: 203 - 204 °C - lit.
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits:
Upper explosion limit: 12,6 %(V)
Lower explosion limit: 1,9 %(V)
Flash point 108 °C - closed cup
Autoignition temperature: 410 °C at 1.019 hPa - DIN 51794
Decomposition temperature: No data available
pH: 6,0 - 7,0 at 20 °C
Viscosity
Viscosity, kinematic: No data available
Viscosity, dynamic: 131,83 mPa.s at 20 °C - ASTM D 445
Water solubility 500 g/l at 20 °C - miscible
Partition coefficient: n-octanol/water:
log Pow: -0,9 at 25 °C - Bioaccumulation is not expected.
Vapor pressure: 0,08 hPa at 20 °C
Density: 1,005 g/cm3 at 25 °C - lit.
Relative density: No data available
Relative vapor density: No data available
Particle characteristics: No data available

Explosive properties: No data available
Oxidizing properties: No data available
Other safety information:
Surface tension: 72,6 mN/m at 1g/l at 20 °C
Dissociation constant: 15,5 at 25 °C
Relative vapor density: 3,11 - (Air = 1.0)
Melting Point: -50°C
Density: 1.005
Boiling Point: 203°C to 204°C
Flash Point: 109°C (249°F)
Odor: Mild
Refractive Index: 1.44
Beilstein: 1731276
Sensitivity: Hygroscopic
Merck Index: 14,1567
Solubility Information: Miscible with water.
Formula Weight: 90.12
Percent Purity: 99%
Chemical Name or Material: (±)-1,3-Butanediol
Molecular Formula / Molecular Weight: C4H10O2 = 90.12
Physical State (20 deg.C): Liquid
Store Under Inert Gas: Store under inert gas
Condition to Avoid: Hygroscopic