Octanoic Acid

Product Name:

Octanoic acid

CAS:

124-07-2

MF:

C8H16O2

MW:

144.21

EINECS:

204-677-5

Mol File:

124-07-2.mol

Melting point 

16 °C

Boiling point 

237 °C(lit.)

density 

0.91 g/mL at 25 °C(lit.)

vapor density 

5 (vs air)

vapor pressure 

1 mm Hg ( 78 °C)

FEMA 

2799 | OCTANOIC ACID

refractive index 

n20/D 1.428(lit.)

Fp 

>230 °F

storage temp. 

Store below +30°C.

solubility 

0.68g/l

form 

Liquid

pka

4.89(at 25℃)

color 

Clear colorless to yellow

Specific Gravity

0.910 (20/4℃)

Odor

unpleasant odor

PH

4 (0.2g/l, H2O, 20℃)

explosive limit

1%(V)

Water Solubility 

0.68 g/L (20 ºC)

JECFA Number

99

Merck 

14,1765

BRN 

1747180

Stability:

Stable. Incompatible with bases, reducing agents, oxidizing agents. Flammable.

CAS DataBase Reference

124-07-2(CAS DataBase Reference)

NIST Chemistry Reference

Octanoic acid(124-07-2)

EPA Substance Registry System

Octanoic acid (124-07-2)

Hazard Codes 

C,Xi

Risk Statements 

34

Safety Statements 

26-36/39-45-36/37/39-25-27

RIDADR 

UN 3265 8/PG 3

WGK Germany 

1

RTECS 

RH0175000

Autoignition Temperature

>300 °C

Hazard Note 

Irritant

TSCA 

Yes

HS Code 

2915 90 70

HazardClass 

8

PackingGroup 

III

Hazardous Substances Data

124-07-2(Hazardous Substances Data)

Toxicity

LD50 orally in rats: 10,080 mg/kg (Jenner)

ALFA

English

Description

Known by the systematic name octanoic acid, Caprylic Acid is a type of beneficial saturated medium-chain fatty acid with antibacterial, antiviral, antifungal and anti-inflammatory properties, whose compounds are found naturally in the breast milk of various mammals, coconut oil and palm kernel oil. It is an oily liquid with a slightly unpleasant rancid-like smell and taste that is minimally soluble in water. 
It is widely applied in various fields, one of which is used as an antimicrobial pesticide, in which it serves as a food contact surface sanitizer in commercial food handling establishments on dairy equipment, food processing equipment, breweries, wineries, and beverage processing plants. Besides, Caprylic acid is used commercially in the manufacture of esters used in perfumery and in the production of dyes. It is also  used as an algaecide, bactericide, and fungicide in nurseries, greenhouses, garden centers, and interiorscapes on ornamentals. Some studies have shown that Caprylic acid is effective to excess calorie burning taken as a dietary supplement, resulting in weigh loss.

References

https://en.wikipedia.org/wiki/Caprylic_acid
https://pubchem.ncbi.nlm.nih.gov/compound/379#section=Top
http://www.healthline.com/health/caprylic-acid-coconut-oil#overview1

Description

Caprylic acid is the common name for the eight-carbon saturated fatty acid known by the systematic name octanoic acid. It is found naturally in the milk of various mammals, and it is a minor constituent of coconut oil and palm kernel oil. It is an oily liquid that is minimally soluble in water with a slightly unpleasant rancid-like smell and taste.
Two other acids are named after goats: caproic (C6) and capric (C10). Along with caprylic acid these total 15 % in goat milk fat.

Chemical Properties

Caprylic acid, CH3(CH2)6COOH, also known as hexylacetic acid,n-octanoic acid, octylie acid, and octic acid, is a colorless oily liquid fatty acid with a melting point of 16 DC. It is found in butter, coconut oil, and other fats. It is used in manufacturing drugs and dyes.

Chemical Properties

Caprylic acid is the common name for octanoic acid, CH3(CH2)6COOH, a saturated fatty acid. As an eight carbon compound it is among the fatty acids considered to be of short or medium chain length. It is a colorless, oily liquid having a mildly unpleasant odor and a burning, rancid taste. It is only slightly soluble in water (68 mg per 100 mL at 20°C). It is a natural component of coconut and palm nut oils and butter fat. Caprylic acid has also been identified in trace amounts in beer, brandy distillate, the essential oil of fermented Russian black tea leaves, and raw soybeans.
It is produced by fermentation and fractional distillation of the volatile fatty acids present in coconut oil.

Chemical Properties

Octanoic acid has a mildly unpleasant odor and a burning, rancid taste. Octanoic acid is also reported as having a faint, fruity–acid odor and slightly sour taste. Caprylic acid is the common name for octanoic acid, CH3(CH2)6COOH, a saturated fatty acid. As an eight-carbon compound, it is among the fatty acids considered to be of short or medium chain length.

Uses

Octanoic acid is a flavoring agent considered to be a short or medium chain fatty acid. It occurs normally in various foods and is commercially prepared by oxidation of n-octanol or by fermentation and fractional distillation of the volatile fatty acids present. It is used in maximum levels, as served, of 0.13% for baked goods; 0.04% for cheeses; 0.005% for fats and oils, frozen dairy desserts, gelatins and puddings, meat products, and soft candy; 0.016% for snack foods; and 0.001% or less for all other food categories. It is also termed octanoic acid.

Uses

Intermediates of Liquid Crystals

Uses

An intermediate in manufacture of esters used in perfumery; in manufacture of dyes, etc.

Definition

ChEBI: A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.

Preparation

By fermentation and fractional distillation of the volatile fatty acids present in coconut oil.

Aroma threshold values

Detection: 910 ppb to 19 ppm. Aroma characteristics at 1.0%: waxy, dirty, sweaty and cheesy fatty, with dirty oily and creamy dairy nuances.

Taste threshold values

Taste characteristics at 10 ppm: creamy, waxy, dirty, sweaty, dairy cheeselike.

General Description

A colorless to light yellow liquid with a mild odor. Burns, but may be difficult to ignite. Corrosive to metals and tissue.

Safety Profile

Moderately toxic by intravenous route. Mildly toxic by ingestion. Mutation data reported. A skin irritant. Yields irritating vapors that can cause coughmg. When heated to decomposition it emits acrid smoke and irritating fumes.

Preparation Products

Capryl alcohol-->Cyclohexanol-->N-METHYLOCTYLAMINE-->Octanal-->6-METHOXY-2-NAPHTHOIC ACID-->fluoro surfactant FC-154-->Bromoxynil octanoate-->glycerin caprylate polyoxethylene ether-->Octanoyl chloride-->Mono-caprylin glycerate-->NONAFLUORO-3,6-DIOXAHEPTANOIC ACID-->Caprylic acid methyl ester-->MONOCAPRYLIN-->2-BROMOOCTANOIC ACID-->FEMA 2080-->FEMA 2079-->3-OCTANOL-->HEPTYL CAPRYLATE-->ALLYL CAPRYLATE-->FEMA 3222-->Ethyl caprylate-->Decanoyl/octanoyl-glycerides-->nonyl octanoate-->Emollient for chewing gums-->FEMA 2575-->Bovine albumin

Raw materials

Malonic acid-->Capryl alcohol-->Peroxyacetic acid-->Coconut oil-->1-OCTENE-->LIMONIN(SH)-->Octanal