Preferred name | octanoic acid |
Trivial Name | Octanoic acid |
Short Description | caprylic acid |
Formula | C8 H16 O2 |
CAS Number | 124-07-2 |
FEMA Number | 2799 |
Flavis Number | 8.01 |
ECHA Number | 204-677-5 |
FDA UNII | OBL58JN025 |
Nikkaji Number | J2.013C |
Beilstein Number | 1747180 |
MDL | MFCD00004429 |
COE Number | 10 |
Bio Activity Summary | External link |
NMR Predictor | External link |
JECFA Food Flavoring | 99 octanoic acid |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 124-07-2 ; OCTANOIC ACID |
Synonyms |
|
Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
octanoic acid | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 124-07-2 |
Pubchem (cid): | 379 |
Pubchem (sid): | 134974901 |
Flavornet: | 124-07-2 |
Pherobase: | View |
(IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
Videos: | The Periodic Table of Videos |
tgsc: | Atomic Weights use for this web site |
(IUPAC): | Periodic Table of the Elements |
FDA Substances Added to Food (formerly EAFUS): | View |
FDA Indirect Additives used in Food Contact Substances: | View |
CHEBI: | View |
CHEMBL: | View |
Golm Metabolome Database: | Search |
Metabolomics Database: | Search |
UM BBD: | Search |
KEGG (GenomeNet): | C06423 |
HMDB (The Human Metabolome Database): | HMDB00482 |
FooDB: | FDB003336 |
YMDB (Yeast Metabolome Database): | YMDB00676 |
Export Tariff Code: | 2915.90.1800 |
FDA Listing of Food Additive Status: | View |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
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. |
Material listed in food chemical codex | Yes |
Molecular weight | 144.21391296387 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 7.431 to 7.672 |
Melting Point | 16 to 17°C @ 760 mm Hg |
Boiling Point | 237 to 239°C @ 760 mm Hg |
Vapor Pressure | 0.022 mmHg @ 25 °C |
Vapor Density | 4.9 |
Flash Point TCC Value | 110 °C TCC |
logP (o/w) | 3.05 |
Shelf life | 24 months (or longer if stored properly.) |
Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
Solubility | |
alcohol | Yes |
water, 789 mg/L @ 30 °C (exp) | Yes |
water | No |
Odor Type: Fatty | |
fatty, waxy, rancid, oily, vegetable, cheesy | |
Odor strength | medium |
Substantivity | > 336 hour(s) at 100.00 % |
Luebke, William tgsc, (1988) | At 100.00 %. fatty waxy rancid oily vegetable cheesy |
Flavor Type: Soapy | |
rancid, soapy, cheesy, fatty, brandy | |
Luebke, William tgsc, (1988) | Rancid soapy cheesy fatty brandy |
Cheese, milk, and other dairy type flavors, ripe fruit. | Acidic, cheese, fruity notes |
General comment | Soapy, cheesy, fatty, brandy-like aftertaste |
(data available) |
Applications | |
Odor purposes | Apple, Banana, Blackberry, Bramble arctic bramble blackberry, Butter, Chamomile, Cherry, Cinnamon, Coconut, Coffee, Fungus, Honey, Hop, Lemongrass, Lime, Marjoram, Nutmeg, Papaya, Passion fruit, Peach, Peanut, Pear, Petitgrain lemon petitgrain, Sherry, Tobacco flower |
Flavoring purposes | Beef roasted beef, Beer, Bread white bread, Cheese, Chocolate cocoa, Cloudberry bakeapple, Brandy grape brandy, Lamb, Marjoram, Brandy pear brandy, Pecan, Petitgrain lemon petitgrain, Brandy plum brandy, Sauerkraut, Tea, Tomato |
Other purposes | Cleansing agents, Emulsifying agents, Soybean, Surfactants |
Cosmetic purposes | Cleansing agents, Fragrance, Perfuming agents, Surfactants, Surfactant - emulsifying |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
C - Corrosive. | |
R 34 - Causes burns. R 36/38 - Irritating to skin and eyes. R 41 - Risk of serious damage to eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
Hazards identification | |
Classification of the substance or mixture | |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
None found. | |
GHS Label elements, including precautionary statements | |
Pictogram | |
Hazard statement(s) | |
None found. | |
Precautionary statement(s) | |
None found. | |
Human Experience: | |
1 % solution: no irritation or sensitization. | |
Oral/Parenteral Toxicity: | |
oral-rat LD50 10080 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intravenous-mouse LD50 600 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. | |
Dermal Toxicity: | |
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 19, Pg. 237, 1981. | |
Inhalation Toxicity: | |
Not determined |
Category: | |||
flavor and fragrance agents | |||
RIFM Fragrance Material Safety Assessment: Search | |||
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Recommendation for octanoic acid usage levels up to: | |||
1.0000 % in the fragrance concentrate. | |||
Structure Class: | I | ||
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
publication number: 3. Update in publication number(s): 29 | |||
Click here to view publication 3 | |||
average usual ppm | average maximum ppm | ||
baked goods: | 0.01000 | 18.00000 | |
beverages(nonalcoholic): | 3.00000 | 3.00000 | |
beverages(alcoholic): | 5.00000 | 10.00000 | |
breakfast cereal: | 1.00000 | 10.00000 | |
cheese: | 1.00000 | 10.00000 | |
chewing gum: | 15.00000 | 30.00000 | |
condiments / relishes: | 12.00000 | 12.00000 | |
confectionery froastings: | 1.00000 | 10.00000 | |
egg products: | 1.00000 | 10.00000 | |
fats / oils: | 1.00000 | 10.00000 | |
fish products: | 1.00000 | 10.00000 | |
frozen dairy: | 2.00000 | 10.00000 | |
fruit ices: | 2.00000 | 10.00000 | |
gelatins / puddings: | 1.00000 | 10.00000 | |
granulated sugar: | 1.00000 | 10.00000 | |
gravies: | 1.00000 | 10.00000 | |
hard candy: | 13.00000 | 13.00000 | |
imitation dairy: | 1.00000 | 10.00000 | |
instant coffee / tea: | - | - | |
jams / jellies: | 1.00000 | 10.00000 | |
meat products: | 1.00000 | 10.00000 | |
milk products: | 1.00000 | 10.00000 | |
nut products: | - | - | |
other grains: | 1.00000 | 10.00000 | |
poultry: | 2.00000 | 20.00000 | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | 50.00000 | 500.00000 | |
snack foods: | 1.00000 | 10.00000 | |
soft candy: | 13.00000 | 13.00000 | |
soups: | 1.00000 | 10.00000 | |
sugar substitutes: | 1.00000 | 10.00000 | |
sweet sauces: | 1.00000 | 10.00000 |
European Food Safety Authority (EFSA) reference(s): |
Flavouring Group Evaluation 61 (FGE.61): Consideration of aliphatic acyclic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
Re-evaluation of fatty acids (E 570) as a food additive View page or View pdf |
EPI System: View |
ClinicalTrials.gov:search |
Chemical Carcinogenesis Research Information System:Search |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):124-07-2 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :379 |
National Institute of Allergy and Infectious Diseases:Data |
WISER:UN 3265 |
WGK Germany:1 |
octanoic acid |
Chemidplus:0000124072 |
EPA/NOAA CAMEO:hazardous materials |
RTECS:RH0175000 for cas# 124-07-2 |