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Octanoic acid

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Octanoic acid Basic information

Product Name:
Octanoic acid
Synonyms:
  • 1-Heptanecarboxylic acid
  • caprylic acid free acid
  • Octanoic Acid (1.00193)
  • CAPRYLIC ACID (OCTANOIC ACID)
  • OCTANOIC ACID, 99.5+%
  • OCTANOIC ACID 98+% NATURAL FCC
  • OCTANOIC ACID 98+%
  • N-CAPRYLIC ACID EXTRA PURE
CAS:
124-07-2
MF:
C8H16O2
MW:
144.21
EINECS:
204-677-5
Product Categories:
  • Curcuma longa (Turmeric)
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  • Sambucus nigra (Elderberry)
  • Straight Chain Fatty Acids
  • Biochemicals and Reagents
  • Building Blocks
  • C8
  • Carbonyl Compounds
  • Carboxylic Acids
  • Chemical Synthesis
  • Fatty Acids and conjugates
  • Fatty Acyls
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  • Miscellaneous Natural Products
  • Alkylcarboxylic Acids
  • Monofunctional & alpha,omega-Bifunctional Alkanes
  • Monofunctional Alkanes
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  • Zingiber officinale (Ginger)
  • Antioxidants and Preservatives
Mol File:
124-07-2.mol
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Octanoic acid Chemical Properties

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)
refractive index 
n20/D 1.428(lit.)
FEMA 
2799 | OCTANOIC ACID
Flash point:
>230 °F
storage temp. 
20-25°C
solubility 
0.68g/l
pka
4.89(at 25℃)
form 
Liquid
Specific Gravity
0.910 (20/4℃)
color 
Clear colorless to yellow
PH
3.97(1 mM solution);3.45(10 mM solution);2.95(100 mM solution);
Odor
unpleasant odor
PH Range
3.5
Odor Type
fatty
explosive limit
1%(V)
Water Solubility 
0.68 g/L (20 ºC)
Merck 
14,1765
JECFA Number
99
BRN 
1747180
Dielectric constant
3.2000000000000002
Dielectric constant
3.2(18℃)
Stability:
Stable. Incompatible with bases, reducing agents, oxidizing agents. Flammable.
LogP
3.05 at 20℃
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)
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Safety Information

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)

MSDS

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Octanoic acid Usage And Synthesis

Chemical Properties

Octanoic acid has a mildly unpleasant odor and a burning, rancid taste. It is also reported as having a faint, fruity–acid odor and slightly sour taste. As an eight-carbon compound, it is among the fatty acids considered to be of short or medium chain length.

Physical properties

Caprylic acid, CH3(CH2)6COOH, also known as hexylacetic acid,n-octanoic acid, octylie acid, and octic acid, 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 used in manufacturing drugs and dyes.

Occurrence

It is found naturally in the milk of various mammals, and it is a minor constituent of coconut oil and palm kernel oil. Octanoic acid has also been identified in trace amounts in beer, brandy distillate, the essential oil of fermented Russian black tea leaves and raw soybeans.

Uses

Octanoic acid (Caprylic acid) is an oily liquid with a slightly unpleasant rancid taste and used commercially in the production of esters used in perfumery and also in the manufacture of dyes. Octanoic acid is also a tremor-suppressing agent.

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.

Definition

ChEBI: Octanoic acid is 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. It has a role as an antibacterial agent, a human metabolite and an Escherichia coli metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It is a conjugate acid of an octanoate.

Application

Octanoic acid is widely applied in various fields, It is an antimicrobial pesticide used as a food contact surface sanitizer in commercial food handling establishments on dairy equipment, food processing equipment, breweries, wineries, and beverage processing plants. In addition, caprylic acid is used as an algaecide, bactericide, and fungicide in nurseries, greenhouses, garden centers, and interiorscapes on ornamentals. Products containing caprylic acid are formulated as soluble concentrate/liquids and ready-to-use liquids.
Caprylic acid is also used in the treatment of some bacterial infections. Due to its relatively short chain length it has no difficulty in penetrating fatty cell wall membranes, hence its effectiveness in combating certain lipid-coated bacteria, such as Staphylococcus aureus and various species of Streptococcus.
Octanoic acid is used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
Some studies have shown that Caprylic acid is effective to excess calorie burning taken as a dietary supplement, resulting in weigh loss.

Preparation

Octanoic acid is produced 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.

Synthesis Reference(s)

The Journal of Organic Chemistry, 54, p. 5395, 1989 DOI: 10.1021/jo00283a044
Synthetic Communications, 19, p. 2151, 1989 DOI: 10.1080/00397918908052610

General Description

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

Reactivity Profile

Octanoic acid reacts exothermically to neutralize bases. Can react with active metals to form gaseous hydrogen and a metal salt. May absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Reacts with cyanide salts or solutions of cyanide salts to generate gaseous hydrogen cyanide. Reacts exothermically with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides to generate flammable and/or toxic gases. Reacts with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Reacts with carbonates and bicarbonates to generate a harmless gas (carbon dioxide) but still heat. Can be oxidized exothermically by strong oxidizing agents and reduced by strong reducing agents. A wide variety of products is possible. May initiate polymerization reactions or catalyze (increase the rate of) reactions among other materials.

Health effects

Taking Octanoic acid supplements is not recommended for people who are pregnant or breastfeeding. Caprylic acid supplements may cause mild stomach or digestive upset. People with frequent stomach problems should consult a healthcare professional before taking caprylic acid supplements.

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.

Source

Octanoic acid is widespread in plant oils, free and as glycerides. It is also present in apples, bananas, orange juice and peel, pineapple, cognac, calamus, blue cheeses, cheddar cheese, Swiss cheese, feta cheese, and other cheeses. It is found naturally in various mammals' milk and is a minor constituent of coconut and palm kernel oil. Octanoic acid is found in many foods, including salad, mango, ice cream, and anise.

Solubility in water

Octanoic acid is an oily liquid with a slightly unpleasant rancid-like smell that is minimally soluble in water. Octanoic acid contains a long alkyl chain which represents its organic part. It will be insoluble in inorganic solvents like water as it is has a long organic part.

Octanoic acidSupplier

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Product Name:C8 Caprylic Acid
CAS:124-07-2
Purity:>99% Package:180Kg/RMB 13000
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Product Name:n-Octanoic Acid
CAS:124-07-2
Purity:>=98% Package:100ml Remarks:CFEQ-4-531037-0100
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CAS:124-07-2
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Shandong Jinyueyuan New Material Co. Ltd Gold
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Product Name:Octanoic acid
CAS:124-07-2
Purity:99% Package:180kg/RMB 11000
Biopole Pharmatech Co., Ltd. Gold
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0512-65974739-0 15151475053
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Products Intro
Product Name:Octanoic acid
CAS:124-07-2
Purity:99.5% HPLC Package:500ml;500ml;500ml