HEPTACOSYLIC ACID

HEPTACOSYLIC ACID = HEPTACOSANOIC ACID = CARBOCERIC ACID

CAS Number: 7138-40-1
EC Number: 230-436-9
MDL number: MFCD00014029
Molecular Formula: C27H54O2
Linear Formula: CH3(CH2)25COOH

Heptacosylic acid, or heptacosanoic acid or carboceric acid, is a 27-carbon long-chain saturated fatty acid with the chemical formula CH3(CH2)25COOH. 
Heptacosylic acid's name derives from a combination of the word "Carbon" and κηρός (Keros), meaning beeswax or honeycomb in Ancient Greek, since the acid can be found in the mineral ozokerite, also known as ozocerite.
Heptacosylic acid is a fatty acid found in follicular casts (the abnormal impactation of a sebaceous follicle) implicated as the preclinical lesion of acne vulgaris. 

Heptacosylic acid belongs to the class of organic compounds known as very long-chain fatty acids. 
These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
The Heptacosylic acid molecule contains a total of 82 bond(s).
There are 28 non-H bond(s), 1 multiple bond(s), 25 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic) and 1 hydroxyl group(s).

The 2D chemical structure image of Heptacosylic acid is also called skeletal formula, which is the standard notation for organic molecules. 
The carbon atoms in the chemical structure of Heptacosylic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Heptacosylic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. 
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Heptacosylic acid can easily be identified by this visualization. 

The Heptacosylic acid belongs to the following product categories: 
(1)Alkylcarboxylic Acids; 
(2)Monofunctional & alpha,omega-Bifunctional Alkanes; 
(3)Monofunctional Alkanes; 
(4)Fatty Acids; 
(5)Saturated fatty acids and derivatives; 
(6)Straight chain fatty acids. 

Heptacosylic acid has the systematic name of heptacosanoic acid. 
Heptacosylic acid should be stored at the temperature of 2-8°C. 

USES and APPLICATIONS of HEPTACOSYLIC ACID:
-Heptacosylic acid is a saturated fatty acid.
-This odd numbered long-chain fatty acid is unusual in most biological systems and is therefore often useful as an internal standard.

-Heptacosylic acid is found in trace amounts in the milk of ruminants as Heptacosylic acid is produced by bacterial flora in the rumen of ruminants. 
-Heptacosylic acid can therefore be used as a biomarker of dairy fat intake. 
-Heptacosylic acid has been used as a comparison to palmitic acid in the study of pheromones because Heptacosylic acid cannot be converted to the pheromone.

ALTERNATIVE PARENTS of HEPTACOSYLIC ACID:    
-Straight chain fatty acids 
-Monocarboxylic acids and derivatives 
-Carboxylic acids 
-Organic oxides 
-Hydrocarbon derivatives 
-Carbonyl compounds 

SUBSTITUENTS of HEPTACOSYLIC ACID:    
-Very long-chain fatty acid
-Straight chain fatty acid
-Monocarboxylic acid or derivatives
-Carboxylic acid
-Carboxylic acid derivative
-Organic oxygen compound
-Organic oxide
-Hydrocarbon derivative
-Organooxygen compound
-Carbonyl group
-Aliphatic acyclic compound

PHYSICAL PROPERTIES of HEPTACOSYLIC ACID: 
-ACD/LogP: 13.00
ACD/LogD (pH 5.5): 12.2
ACD/LogD (pH 7.4): 10.41
ACD/BCF (pH 5.5): 1000000
ACD/BCF (pH 7.4): 1000000
ACD/KOC (pH 5.5): 10000000
ACD/KOC (pH 7.4): 719845.44

#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 25
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.461
Molar Refractivity: 128.7 cm3
Molar Volume: 468.8 cm3

Polarizability: 51.02×10-24cm3
Surface Tension: 33.5 dyne/cm
Density: 0.876 g/cm3
Flash Point: 190.1 °C
Enthalpy of Vaporization: 71.61 kJ/mol
Boiling Point: 424.7 °C at 760 mmHg
Vapour Pressure: 5.69E-08 mmHg at 25°C.

PHYSICAL and CHEMICAL PROPERTIES of HEPTACOSYLIC ACID:
Molecular Weight: 410.72
Appearance Form: powder
Color: white
Odor: No data available
Odor Threshold: No data available
pH: No data available
Melting point/freezing point:
Melting point/range: 88 - 89 °C

Initial boiling point and boiling range: No data available
Flash point: No data available
Evaporation rate: No data available
Flammability (solid, gas): No data available
Upper/lower flammability or explosive limits: No data available
Vapor pressure: No data available
Vapor density: No data available
Relative density: No data available
Water solubility: No data available

Partition coefficient: n-octanol/water: No data available
Autoignition temperature: No data available
Decomposition temperature: No data available
Viscosity: No data available
Explosive properties: No data available
Oxidizing properties: No data available
Other safety information: No data available

Physical State: Solid
Solubility: oluble in water (partly miscible).
Storage: Store at 4° C
Melting Point: 88-89° C
Density: ~0.88 g/cm3 (Predicted)
Refractive Index: n20D ~1.46 (Predicted)
Color: White-Yellow
Melting Point: 86°C
Quantity: 100mg

Formula Weight: 410.73
Physical Form: Crystal-Powder at 20°C
Percent Purity: ≥98.0% (T)
Melting point: 86-88 °C
Boiling point: 458.37°C (rough estimate)
Density: 0.8898 (rough estimate)
refractive index: 1.4740 (estimate)
storage temp.: Sealed in dry,Room Temperature

FIRST AID MEASURES of HEPTACOSYLIC ACID:
-Description of first-aid measures:
*If inhaled:
If breathed in, move person into fresh air. 

*In case of skin contact:
Wash off with soap and plenty of water.

*In case of eye contact:
Flush eyes with water as a precaution.

*If swallowed:
Never give anything by mouth to an unconscious person. 
Rinse mouth with water.

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

ACCIDENTAL RELEASE MEASURES ofHEPTACOSYLIC ACID:
-Personal precautions, protective equipment and emergency procedures:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Sweep up and shovel. 
Keep in suitable, closed containers for disposal.

FIRE FIGHTING MEASURES ofHEPTACOSYLIC ACID:
-Extinguishing media:
Suitable extinguishing media:
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
-Advice for firefighters:
Wear self-contained breathing apparatus for firefighting if necessary.
-Further information: No data available

EXPOSURE CONTROLS/PERSONAL PROTECTION ofHEPTACOSYLIC ACID:
-Control parameters:
Ingredients with workplace control parameters:
-Exposure controls:
*Appropriate engineering controls
General industrial hygiene practice.

-Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

*Skin protection:
Handle with gloves. 
Gloves must be inspected prior to use. 
Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. 
Wash and dry hands.

*Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place.
The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.

*Respiratory protection:
Respiratory protection is not required. 
Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. 

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

HANDLING AND STORAGE of HEPTACOSYLIC ACID:
-Precautions for safe handling:
Provide appropriate exhaust ventilation at places where dust is formed.
-Conditions for safe storage, including any incompatibilities:
Store in cool place. 
Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature 2 - 8 °C

STABILITY and REACTIVITY of HEPTACOSYLIC ACID:
-Reactivity: No data available
-Chemical stability: Stable under recommended storage conditions
-Possibility of hazardous reactions: No data available
-Conditions to avoid: No data available
Other decomposition products - No data available

SYNONYMS:
Heptacosanoic acid 
Heptacosylic acid
C27:0
carboceric acid
Heptacosanoic aci
heptacosanic acid
HEPTACOSANOIC ACID
CARBOXYLIC ACID C27
HeptacosanoicAcid>N-HEPTACOSANOIC ACID
HEPTACOSANOIC ACID 97+%