hexanoic acid
caproic acid
Identification
| Name | hexanoic acid |
| IUPAC | hexanoic acid |
| CAS Number | 142-62-1 |
| EINECS | 205-550-7 |
| FDA UNII | 1F8SN134MX |
| Molecular Formula | C6 H12 O2 |
| Molecular Weight | 116.16004000 |
| MDL Number | MFCD00004421 |
| Nikkaji Number | J2.546A |
| Beilstein | 0773837 |
| CoE Number | 9 |
| XlogP3 | 1.90 (est) |
Regulatory
| JECFA Food Flavoring | 93 hexanoic acid |
| DG SANTE Food Flavourings | 08.009 hexanoic acid |
| DG SANTE Food Contact Materials | hexanoic acid |
| FEMA Number | 2559 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 142-62-1 ; HEXANOIC ACID |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear oily liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.92300 to 0.92700 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.680 to 7.714 |
| Refractive Index | 1.41500 to 1.41800 @ 20.00 °C. |
| Melting Point | -4.00 to -3.00 °C. @ 760.00 mm Hg |
| Boiling Point | 202.00 to 203.00 °C. @ 760.00 mm Hg, 130.00 to 131.00 °C. @ 50.00 mm Hg |
| Congealing Point | -3.24 °C. |
| Vapor Pressure | 0.158000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 4.0 ( Air = 1 ) |
| Flash Point | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w) | 1.920 |
| Shelf Life | 36.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | cleansing agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | > 336 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in propylene glycol. mild, fatty Sickening, Sweaty, Pungent, Cheesy, Fatty Sour, fatty, sweat, cheesy
|
| Odor sample from | Bedoukian Research, Inc. |
| Taste Description |
cheesy fruity phenolic fatty goaty Sharp, acidic, cheesy, fruity notes cheesy, fruity, phenolic, fatty
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 2050 ul/kg |
| Dermal Toxicity | skin-rabbit LD50 630 ul/kg |
| Inhalation Toxicity | inhalation-mouse LC50 4100 mg/m3/2H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Structure Class | I |
| baked goods | 19.00000 |
| beverages(nonalcoholic) | 2.00000 |
| beverages(alcoholic) | 3.00000 |
| breakfast cereal | - |
| cheese | 2.00000 |
| chewing gum | 100.00000 |
| condiments / relishes | 448.00000 |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 36.00000 |
| fish products | - |
| frozen dairy | 10.00000 |
| fruit ices | - |
| gelatins / puddings | 2.00000 |
| granulated sugar | - |
| gravies | 2.00000 |
| hard candy | 3.00000 |
| imitation dairy | 5.00000 |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 6.00000 |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | 150.00000 |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | 10.00000 |
| soft candy | 5.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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