Basic information
- CAS
4675-87-0- Standard SMILES
CC=C(C)CO- InChIKey
NEJDKFPXHQRVMV-UHFFFAOYSA-N- Molecular formula
- C5H10O
- Average molar mass
- 86.13 g/mol
- Monoisotopic mass
- 86.07316494
Overview
2-Buten-1-ol, 2-methyl- has been reported in Litchi chinensis, Trigonella foenum-graecum, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Methylbut-2-en-1-ol
- IUPAC
- 2-methylbut-2-en-1-ol
Names & synonyms
2-methylbut-2-en-1-ol2-Methylbut-2-enolSCHEMBL196185SCHEMBL346697SCHEMBL709915SCHEMBL4386054SCHEMBL4386057SCHEMBL6724394SCHEMBL9879902NS00082636
Database identifiers
- CAS
4675-87-0- PubChem CID
- 20799
- DTXSID
DTXSID2063553
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 55
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Related reactions
5 records
Compound notes
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