2-ethyl hexanoic acid
Identification
| Name | 2-ethyl hexanoic acid |
| CAS Number | 149-57-5 |
| EINECS | 205-743-6 |
| FDA UNII | 01MU2J7VVZ |
| Molecular Formula | C8 H16 O2 |
| Molecular Weight | 144.21392000 |
| MDL Number | MFCD00002675 |
| Nikkaji Number | J36.965I |
| Beilstein | 1750468 |
| XlogP3 | 2.60 (est) |
Regulatory
| DG SANTE Food Flavourings | 08.078 2-ethylhexanoic acid |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.89300 to 0.91300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.431 to 7.597 |
| Refractive Index | 1.42000 to 1.42600 @ 20.00 °C. |
| Melting Point | -59.00 °C. @ 760.00 mm Hg |
| Boiling Point | 220.00 to 223.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.030000 mmHg @ 20.00 °C. |
| Vapor Density | 4.98 ( Air = 1 ) |
| Flash Point | 244.00 °F. TCC ( 117.78 °C. ) |
| logP (o/w) | 2.640 |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | not used anymore |
No sensory data available
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1600 - 3000 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 1260 ul/kg |
| Inhalation Toxicity | inhalation-rat LC > 400 ppm/6H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 2-ethyl hexanoic acid usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.24 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3100 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 3.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 2.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 3.00000 |
| Processed fruit (04.1) | 2.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 2.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 5.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 3.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 15.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
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Potential Uses
Natural Occurrence
Synonyms
2-
butyl butanoic acid
butyl ethyl acetic acid
2-
butylbutanoic acid
butylethylacetic acid
2-
ethyl caproic acid
alpha-
ethyl caproic acid
2-
ethyl hexoic acid
2-
ethyl-hexanoic acid
2-
ethyl-hexoic acid
2-
ethylcaproic acid
a-
ethylcaproic acid
alpha-
ethylcaproic acid
2-
ethylcapronic acid
2-
ethylhexanoic acid
a-
ethylhexanoic acid
2-
ethylhexanoicacid
2-
ethylhexoic acid
3-
heptane carboxylic acid
3-
heptanecarboxylic acid
hexanoic acid, 2-ethyl-
sinesto B
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