| CAS Number: | 13201-46-2 | 3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 236-167-3 |
| CoE Number: | 10168 |
| XlogP3-AA: | 1.00 (est) |
| Molecular Weight: | 100.11716000 |
| Formula: | C5 H8 O2 |
| NMR Predictor: | Predict (works with chrome or firefox) |
| EFSA/JECFA Comments: | Composition of mixture to be specified.
Composition of stereoisomeric mixture to be specifed. EU Union List chemical name to be changed to (E,Z)-Methyl-2-butenoic acid |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Assay: | 99.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed: | No |
| Boiling Point: | 191.00 to 193.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.152000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 204.00 °F. TCC ( 95.56 °C. )
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| logP (o/w): | 1.076 (est) |
| Soluble in: |
| | alcohol | | | water, slightly | | | water, 1.845e+004 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
| Similar Items: note |
| (E)-tiglic acid |
| (Z)-tiglic acid |
Organoleptic Properties:
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| Odor and/or flavor descriptions from others (if found). |
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Cosmetic Information:
Suppliers:
Safety Information:
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
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Not determined
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters View page or View pdf |
Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) View page or View pdf |
Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 View page or View pdf |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 13201-46-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6656 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3261 |
| WGK Germany: | 2 |
| | 2-methylbut-2-enoic acid |
| Chemidplus: | 0013201462 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 2- | butenoic acid, 2-methyl- | | | crotonic acid, 2-methyl- | | 2,3- | dimethylacrylic acid | | 2- | methyl crotonic acid | | alpha- | methyl crotonic acid | | 2- | methyl-2-butenoic acid | | 2- | methylbut-2-enoic acid | | 2- | methylcrotonic acid | | alpha- | methylcrotonic acid | | | methylmethacrylic acid | | | tiglinic acid |
Articles:
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