3-methyl crotonic acid
3-methylcrotonic acid
Identification
| Name | 3-methyl crotonic acid |
| IUPAC | 3-methylbut-2-enoic acid |
| CAS Number | 541-47-9 |
| EINECS | 208-782-7 |
| FDA UNII | EKV8I38F9I |
| Molecular Formula | C5 H8 O2 |
| Molecular Weight | 100.11716000 |
| MDL Number | MFCD00004366 |
| Nikkaji Number | J13.743J |
| Beilstein | 1720305 |
| CoE Number | 10138 |
Regulatory
| JECFA Food Flavoring | 1204 3-methylcrotonic acid |
| DG SANTE Food Flavourings | 08.070 3-methylcrotonic acid |
| FEMA Number | 3187 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 541-47-9 ; 3-METHYLCROTONIC ACID |
Physical Properties
| Appearance | white to tan crystals (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 66.00 to 70.00 °C. @ 760.00 mm Hg |
| Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg, 114.00 °C. @ 40.00 mm Hg |
| Vapor Pressure | 0.200000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 1.350 (est) |
| Soluble in | alcohol |
Organoleptic Properties
| Odor Description | at 1.00 % in propylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 3560 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 3200 mg/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 | flavoring agents |
| Recommendation for 3-methyl crotonic acid usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.01 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Synerzine, Inc.
Innovation. Customization. Aroma Ingredients.
Synerzine is a leading supplier of flavor and fragrance ingredients.
Potential Uses
Natural Occurrence
Synonyms
but-2-enoic acid, 3-methyl-
2-
butenoic acid, 3-methyl-
crotonic acid, 3-methyl-
3,3-
dimethyl acrylic acid
beta,beta-
dimethyl acrylic acid
3,3-
dimethylacrylic acid
beta-
methyl crotonic acid
3-
methyl-2-butenoic acid
3-
methyl-crotonic acid
3-
methylbut-2-enoic acid
3-
methylcrotonic acid
b-
methylcrotonic acid
senecic acid
senecioic acid
Try the PubMed Search.