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Basic information
- CAS
13201-46-2- Standard SMILES
CC=C(C)C(=O)O- InChIKey
UIERETOOQGIECD-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.0524295
Overview
2-methylbut-2-enoic acid has been reported in Lomatium nuttallii, Lithospermum erythrorhizon, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Butenoic acid, 2-methyl-
- IUPAC
- 2-methylbut-2-enoic acid
Names & synonyms
2-Butenoic acid, 2-methyl-DTXSID50861643RefChem:467986DTXCID308105382-methylbut-2-enoic acid13201-46-2Crotonic acid, 2-methyl-2-Butenoic acid, methyl-methyl methacrylic acidCH3CH=C(CH3)COOH.alpha.-Methylcrotonic acid2-methyl-but-2-enoic acid
Show more names
SCHEMBL15042SCHEMBL246006SCHEMBL1178505SCHEMBL6050083SCHEMBL7228687SCHEMBL10840702s3789s3803
Database identifiers
- CAS
13201-46-2- PubChem CID
- 6656
- DTXSID
DTXSID50861643- EC Number
- 236-167-3
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Safety & regulation
Hazard information
Regulatory InformationChemical: 2-Butenoic acid, 2-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenoic acid, 2-methyl-: INACTIVE
Suppliers11 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
BOC Sciences[email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
7 records
Compound notes
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