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Octanoic acid
- Iupac Name：octanoic acid
- CAS No.: 124-07-2
- Molecular Weight：144.21144
- Modify Date.: 2022-10-31 23:05
- Introduction: 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.
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1. Names and Identifiers
- 1.1 Name
- Octanoic acid
- 1.2 Synonyms
1-Heptanecarboxylic acid Acid C8,Caprylic acid caprylic acid CAPRYLIC ACID (C8) CAPRYLIC ACID (OCTANOIC ACID) caprylic acid free acid CAPRYLIC ACID NATURAL CAPRYLICACID EINECS 204-677-5 heptane-7-carboxylic acid MFCD00004429 NATURAL CAPRYLIC ACID FEMA NO.2799 n-caprylic acid N-CAPRYLIC ACID EXTRA PURE neo-fat 8 n-Octanoic Acid n-Octoic acid n-octylic acid Octanoic Acid (1.00193) OCTANOIC ACID (CAPRYLIC) OCTANOIC ACID FOR SYNTHESIS OCTANOIC ACID/CAPRYLIC ACID OCTANOICACID Octocapric Acid octoic acid Octylic acid
- 1.3 CAS No.
- 124-07-2
- 1.4 CID
- 379
- 1.5 EINECS(EC#)
- 204-677-5
- 1.6 Molecular Formula
- C8H16O2 (isomer)
- 1.7 Inchi
- InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
- 1.8 InChkey
- WWZKQHOCKIZLMA-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCCCCCCC(=O)O
- 1.10 Isomers Smiles
- CCCCCCCC(=O)O
2. Properties
- 2.1 Density
- 0.91
- 2.1 Melting point
- 16-16.5℃
- 2.1 Boiling point
- 237℃
- 2.1 Refractive index
- 1.4268-1.4288
- 2.1 Flash Point
- 130℃
- 2.2 Precise Quality
- 144.11500
- 2.2 PSA
- 37.30000
- 2.2 logP
- 2.43150
- 2.2 Solubility
- 0.68g/l
- 2.3 Viscosity
- 5.74 mPa.sec
- 2.4 VaporDensity
- 5 (vs air)
- 2.5 Appearance
- Light yellow Characteristic Liquid
- 2.6 Storage
- Ambient temperatures.
- 2.7 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.
- 2.8 Color/Form
- SOLIDIFIES TO LEAFY CRYSTALS WHEN COLD
Colorless
Oily liquid
- 2.9 Decomposition
- When heated to decomposition it emits acrid smoke and irritating fumes.
- 2.10 Heat of Combustion
- -4,799.9 kJ/mol
- 2.11 Odor
- FAINT, FRUITY-ACID ODOR
- 2.12 Odor Threshold
- IT CAN BE DETECTED @ 0.008 PPM.
- 2.13 PH
- 4 (0.2g/l, H2O, 20℃)
- 2.14 pKa
- 4.89(at 25℃)
- 2.15 Water Solubility
- 0.68 g/L (20 oC)
- 2.16 Spectral Properties
- Index of refraction: 1.4285 at 20 deg C/D
IR: 5719 (Coblentz Society Spectral Collection)
1H NMR: 157 (Sadtler Research Laboratories Spectral Collection)
Raman: 412 (Sadtler Research Laboratories Spectral Collection)
MASS: 27831 (NIST/EPA/MSDC Mass Spectral database, 1990 version)
- 2.17 Stability
- Stable. Incompatible with bases, reducing agents, oxidizing agents. Flammable.
- 2.18 StorageTemp
- 20-25°C
- 2.19 Surface Tension
- 23.7 dyn/cm
3. Use and Manufacturing
- 3.1 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.
- 3.2 General Description
- A colorless to light yellow liquid with a mild odor. Burns, but may be difficult to ignite. Corrosive to metals and tissue.
- 3.3 Usage
- 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.
4. Safety and Handling
- 4.1 Symbol
- GHS05
- 4.1 Hazard Codes
- C
- 4.1 Signal Word
- Danger
- 4.1 Risk Statements
- R34
- 4.1 Safety Statements
- S25;S36/37/39;S45
- 4.1 Exposure Standards and Regulations
- Substance added directly to human food affirmed as generally recognized as safe (GRAS).
Caprylic acid is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.
- 4.2 Packing Group
- III
- 4.2 Octanol/Water Partition Coefficient
- log Kow = 3.05
- 4.3 Other Preventative Measures
- SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Use water spray to knock-down vapors. Neutralize spilled material with crushed limestone, soda ash, or lime..
Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. If contact with the material anticipated, wear appropriate chemical protective equipment.
Do not get in eyes, on skin, or on clothing. Wear protective eyewear (goggles, face shield, or safety glasses), protective clothing and rubber gloves. Wash thoroughly with soap and water after handling and before eating, drinking, chewing gum, or using tobacco. Remove and wash contaminated clothing before reuse./65 Disinfecting Heavy Duty Acid Bathroom Cleaner/
IF IN EYES: Hold eye open and rinse slowly and gently with water for 15-20 minutes. Remove contact lenses, if present, after the first 5 minutes, then continue rinsing eye. ... IF ON SKIN: Take off contaminated clothing. Rinse skin immediately with plenty of water for 15-20 minutes. /65 Disinfecting Heavy Duty Acid Bathroom Cleaner/
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
- 4.4 Hazard Class
- 8
- 4.4 Hazard Declaration
- H314
- 4.4 Cleanup Methods
- Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Neutralize with agricultural lime (CaO), crushed limestone (CaCO3) or sodium bicarbonate (NaHCO3). Absorb bulk liquid with fly ash, cement powder, or commercial sorbents.
Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill travel. Neutralize with agricultural lime (CaO), crushed limestone (CaCO3) or sodium bicarbonate (NaHCO3). Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
Environmental considerations: Air spill: Apply water spray or mist to knock down vapors. Vapor knockdown water is corrosive or toxic and should be diked for containment.
ENVIRONMENTAL HAZARDS (5 gallons or greater): Do not discharge effluent containing this product into lakes, streams, ponds, estuaries, oceans, or other waters unless in accordance with the requirements of a National Pollutant Discharge Elimination System (NPDES) permit and permitting authority has been notified in writing prior to discharge. Do not discharge effluent containing this product to sewer systems without previously notifying the local sewage treatment plant authority. For guidance contact your State Water Board or Regional Office of the EPA./65 Disinfecting Heavy Duty Acid Bathroom Cleaner/
- 4.5 DisposalMethods
- SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
For containers less than 1 gallon: Do not reuse container. Wrap container and discard in the trash. (1 gal. bladder in box) Remove empty bladder from outer corrugated box. Do not reuse bladder. Wrap bladder and box and put in trash. For containers greater than 1 gallon: Pesticide Disposal: Pesticide wastes are acutely hazardous. Improper disposal of excess pesticide, spray mixture, or rinsate is a violation of Federal Law. If these wastes cannot be disposed of by use according to label instructions, contact your State Pesticide or Environmental Control Agency, or the Hazardous Waste Representative at the nearest EPA Regional Office for guidance. Container Disposal: (greater than 1 gallon): Triple rinse (or equivalent). Then offer for recycling or reconditioning, or puncture and dispose of in sanitary landfill, or incineration, or if allowed by state and local authorities, by burning. If burned, stay out of smoke. (2.5 gal. bladder in box): Remove empty bladder from outer corrugated box. Triple rinse bladder (or equivalent). Offer box and bladder for recycling or dispose of in a sanitary landfill or incineraVon, or if allowed by state and local authorities, by burning. If burned, stay out of smoke./65 Disinfecting Heavy Duty Acid Bathroom Cleaner/
- 4.6 RIDADR
- UN 3265
- 4.6 Fire Fighting Procedures
- If material on fire or involved in fire: Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide. Use water spray to knock-down vapors..
- 4.7 FirePotential
- Combustible
- 4.8 Safety Profile
- Moderately toxic byintravenous route. Mildly toxic by ingestion.Mutation data reported. A skin irritant.Yields irritating vapors that can causecoughmg. When heated to decomposition itemits acrid smoke and irritating fumes. Octanoic acid Preparation Products And Raw materials Preparation Products
- 4.9 Caution Statement
- P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
- 4.9 Formulations/Preparations
- Grades: Technical, 99%, FCC.
65 DISINFECTING HEAVY DUTY ACID BATHROOM CLEANER: Active Ingredient 3.05% Octanoic acid
KX-6176: Active Ingredients 7.52% Hydrogen peroxide, 0.940% Octaneperoxoic acid, 2.72% Octanoic acid
KX-6178: Active Ingredients 7.52% Hydrogen peroxide, 1.00% Octaneperoxoic acid, 2.85% Octanoic acid
MANDATE: Active Ingredients 20.0% Citric acid, 23.8% Phosphoric acid, 6.00% Octanoic acid, 2.00% Capric acid
QUANTUM TB DISINFECTANT: Active Ingredient 0.138% Octanoic acid
STBX-013: Active Ingredients 6.90% Hydrogen peroxide, 4.40% Peroxyacetic acid, 3.30% Octanoic acid
VORTEXX: Active Ingredients 6.90% Hydrogen peroxide, 4.40% Peroxyacetic acid, 3.30% Octanoic acid
A typical technical grade contains 95% C8, 4% C10, and 1% C12.
Prifrac 2910 /is/ a mixture of 54% caprylic acid and 44.5% capric (decanoic) acid.
- 4.10 WGK Germany
- 1
- 4.10 RTECS
- RH0175000
- 4.10 Protective Equipment and Clothing
- Daily application of 7.2% octanoic acid in propanol under cover to the skin of 10 volunteers caused redness in 4 subjects after 2 days and in 8 after 6 days.
n-Octanoic acid and its sodium and potassium salts caused skin irritation in man and the acid was an eye irritant in rabbits.
- 4.11 Skin, Eye, and Respiratory Irritations
- Daily application of 7.2% octanoic acid in propanol under cover to the skin of 10 volunteers caused redness in 4 subjects after 2 days and in 8 after 6 days.
n-Octanoic acid and its sodium and potassium salts caused skin irritation in man and the acid was an eye irritant in rabbits.
- 4.12 Toxicity
-
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RH0175000
- CHEMICAL NAME :
- Octanoic acid
- CAS REGISTRY NUMBER :
- 124-07-2
- BEILSTEIN REFERENCE NO. :
- 1747180
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C8-H16-O2
- MOLECULAR WEIGHT :
- 144.24
- WISWESSER LINE NOTATION :
- QV7
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10080 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Gastrointestinal - hypermotility, diarrhea
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA
- TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Non-mammalian species Cells - not otherwise specified
- DOSE/DURATION :
- 10 mmol/L
- REFERENCE :
- CHROAU Chromosoma. (Springer-Verlag New York, Inc., Service Center, 44
Hartz Way, Secaucus, NJ 07094) V.1- 1939- Volume(issue)/page/year:
40,1,1973
*** REVIEWS ***
TOXICOLOGY REVIEW
AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60.
For publisher information, see AEHLAU. Volume(issue)/page/year: 21,100,1960
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - 84154
No. of Facilities: 939 (estimated)
No. of Industries: 15
No. of Occupations: 25
No. of Employees: 22322 (estimated)
NOES - National Occupational Exposure Survey (1983)
NOES Hazard Code - 84154
No. of Facilities: 21067 (estimated)
No. of Industries: 146
No. of Occupations: 97
No. of Employees: 222149 (estimated)
No. of Female Employees: 8182 (estimated)
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin corrosion, Category 1B
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Danger |
| Hazard statement(s) | H314 Causes severe skin burns and eye damage |
| Precautionary statement(s) | |
| Prevention | P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
| Storage | P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
124-07-2Total: 57 Synthesis Route
9. Other Information
- 9.0 Merck
- 14,1765
- 9.1 BRN
- 1747180
- 9.2 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.
- 9.3 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
- 9.4 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.
- 9.5 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.
- 9.6 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.
- 9.7 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.
- 9.8 Occurrence
- 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. Reported as occurring naturally in the essential oils of Cupressus torulosa, Cryptomeria japonica, Andropogon iwarancusa, Cymbopogon javanensis, camphor, nutmeg, lemongrass, lime, tobacco (flowers), Artemisia herba-alba, chamomile, hops and others; also reported in apple aroma, coconut oil as glyceride, and wine as an ester; it has been identified (free and esterified) among the constituents of petitgrain lemon oil. Also reported in many foods and beverages including apple, banana, lemon and grapefruit peel oils, cranberries, guava, grapes, raisin, strawberry, raspberry, pineapple, burley, cheddar cheese, cooked lamb and mutton, papaya, potato, tomato, bell pepper, sauerkraut, ginger, peppermint and spearmint oil, breads, many cheeses, butter, milk, yogurt, cooked egg, fish, meats, hop oil, beer, rum, cider, whiskies, grape wines, cocoa, coffee, tea, peanut oil, pecans, oats, coconut products, passion fruit, blue cheese, beans, sweet marjoram, mushroom, cardamom, coriander seed, sesame seed, mango, tamarind, fig, calamus, rice, radish, dill, corn oil, loquat, licorice, sake, buckwheat, malt, wort, elderberry, cherimoya, kiwifruit, shrimp, clam, scallop and Chinese quince.
- 9.9 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.
- 9.10 Uses
- Intermediates of Liquid Crystals
- 9.11 Uses
- Caprylic acid is used commercially in the production of esters used in perfumery and also in the manufacture of dyes.
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.
Caprylic acid 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. It is also used as disinfectant in health care facilities, schools/colleges, animal care/veterinary facilities, industrial facilities, office buildings, recreational facilities, retail and wholesale establishments, livestock premises, restaurants, and hotels/motels. 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.
For ghrelin to have a hunger-stimulating action on a hypothalamus, caprylic acid must be linked to a serine residue at the 3-position of ghrelin. To cause hunger, it must acylate a - OH group. Other fatty acids in the same position have similar effects on hunger.
The octanoic acid breath test is used to measure gastric emptying. Some potential benefit is possible from administration of octanoic acid for patients with essential tremor.
The acid chloride of caprylic acid is used in the synthesis of perfluorooctanoic acid.
- 9.12 Uses
- An intermediate in manufacture of esters used in perfumery; in manufacture of dyes, etc.
- 9.13 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.
- 9.14 Preparation
- By fermentation and fractional distillation of the volatile fatty acids present in coconut oil.
- 9.15 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.
- 9.16 Taste threshold values
- Taste characteristics at 10 ppm: creamy, waxy, dirty, sweaty, dairy cheeselike.
- 9.17 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
- 9.18 General Description
- A colorless to light yellow liquid with a mild odor. Burns, but may be difficult to ignite. Corrosive to metals and tissue.
- 9.19 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.
- 9.20 Usage
- Octanoic acid is used in the production of esters, which finds application in perfumery and also dyes manufacture. It is used as a food contact surface sanitizer in commercial food handling, as a dietary supplement and as disinfectant in health care facilities, recreational facilities, livestock premises and industrial facilities. Its acid chloride is used in the synthesis of perfluorooctanoic acid.
10. Computational chemical data
- Molecular Weight: 144.21144g/mol
- Molecular Formula: C8H16O2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 144.115029749
- Monoisotopic Mass: 144.115029749
- Complexity: 89.3
- Rotatable Bond Count: 6
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 37.3
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
11. Question & Answer
-
I am leading a project in which I am attempting to synthesize 4-oxooctanoic acid in a (mostly) biological pathway. Currently, I have reached a dead-end. I have a way to create octanoic acid through bacterial growth, I could not seem to find a way to proceed to the 4-oxo step with enzymes so I turne...
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