2-Buten-1-ol, 3-phenyl-, 1-acetate
Basic information
- CAS
20883-16-3- Standard SMILES
CC(=O)OCC=C(C)c1ccccc1- InChIKey
NVIVTRAAPVVZKY-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 2-Buten-1-ol, 3-phenyl-, 1-acetate
- IUPAC
- 3-phenylbut-2-enyl acetate
- English name
- 3-phenyl-2-butenyl acetate
- Molecular formula
- C12H14O2
- Molecular weight
- 190.23836
Names & synonyms
20883-16-32-Buten-1-ol, 3-phenyl-, acetate2-Buten-1-ol, 3-phenyl-, 1-acetate3-Phenyl-2-buten-1-ol acetateDTXSID80864965EINECS 244-098-5RefChem:85946DTXCID508134253-Phenyl-2-butenyl acetate3-phenylbut-2-enyl acetateSCHEMBL298278453-phenylbut-2-en-1-yl acetate
Show more names
2-Phenyl-4-acetoxy-2-butenegamma-methyl cinnamyl acetateAcetic acid 3-phenyl-2-buten-1-yl ester
NVIVTRAAPVVZKY-UHFFFAOYSA-NDB-252555NS00085354
Database identifiers
- CAS
20883-16-3- PubChem CID
- 89399
- DTXSID
DTXSID80864965- EC Number
- 244-098-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.059 · 3.059 (est)
- EPA Substance Registry System
- 2 · 2-Buten-1-ol, 3-phenyl-, acetate (20883-16-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Buten-1-ol, 3-phenyl-, acetate
Other Safety InformationIMAP assessments - 2-Buten-1-ol, 3-phenyl-, acetate: Environment tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Buten-1-ol, 3-phenyl-, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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