isobutyric acid
2-methylpropionic acid
Identification
| Name | isobutyric acid |
| IUPAC | 2-methylpropanoic acid |
| CAS Number | 79-31-2 |
| EINECS | 201-195-7 |
| FDA UNII | 8LL210O1U0 |
| Molecular Formula | C4 H8 O2 |
| Molecular Weight | 88.10616000 |
| MDL Number | MFCD00002658 |
| Nikkaji Number | J3.840G |
| Beilstein | 0635770 |
| CoE Number | 6 |
Regulatory
| JECFA Food Flavoring | 253 isobutyric acid |
| DG SANTE Food Flavourings | 08.006 2-methylpropionic acid |
| FEMA Number | 2222 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 79-31-2 ; ISOBUTYRIC ACID |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.94400 to 0.94800 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.855 to 7.888 |
| Refractive Index | 1.39200 to 1.39500 @ 20.00 °C. |
| Melting Point | -47.00 to -46.00 °C. @ 760.00 mm Hg |
| Boiling Point | 153.00 to 154.00 °C. @ 760.00 mm Hg, 85.00 to 86.00 °C. @ 50.00 mm Hg |
| Vapor Pressure | 1.810000 mmHg @ 25.00 °C. |
| Vapor Density | 3.0 ( Air = 1 ) |
| Flash Point | 132.00 °F. TCC ( 55.56 °C. ) |
| logP (o/w) | 0.940 |
| Soluble in | alcohol |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | buffering agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 8 hour(s) at 100.00 % |
| Odor Description |
at 1.00 % in propylene glycol. butter; strawberry RANCID, CHESSE, BUTTER ACIDIC, BITTER, RANCID BUTTER
|
| Odor sample from | Sigma-Aldrich |
| Natural odor sample from | Harrmann & Reimer Corporation |
| Taste Description | acidic sour cheesy limburger cheese dairy creamy |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 280 ul/kg |
| Dermal Toxicity | skin-rabbit LD50 500 ul/kg |
| Inhalation Toxicity | Not determined |
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 |
| Recommendation for isobutyric acid usage levels up to | 0.0500 % in the fragrance concentrate. |
| Structure Class | I |
| baked goods | 20.00000 |
| beverages(nonalcoholic) | 2.00000 |
| beverages(alcoholic) | 2.00000 |
| breakfast cereal | - |
| cheese | - |
| chewing gum | 25.00000 |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | 2.00000 |
| fish products | - |
| frozen dairy | 6.00000 |
| fruit ices | - |
| gelatins / puddings | 11.00000 |
| granulated sugar | - |
| gravies | - |
| hard candy | 8.00000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | 100.00000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | 21.00000 |
| soups | - |
| sugar substitutes | - |
| sweet sauces | 62.00000 |
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