3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)-
Basic information
- CAS
25625-21-2- Standard SMILES
CC(C)(O)/C=C/c1ccccc1- InChIKey
AHTMRLFEKXDXJS-CMDGGOBGSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)-
- IUPAC
- (E)-2-methyl-4-phenylbut-3-en-2-ol
- English name
- 3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)-
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
57132-28-23-Buten-2-ol, 2-methyl-4-phenyl-, (3E)-2-Methyl-4-phenyl-3-buten-2-ol, (E)-DTXSID608862212-methyl-4-phenyl-3-buten-2-olRefChem:499440DTXCID80102555825625-21-2632-666-92-methyl-4-phenylbut-3-en-2-ol(3E)-2-METHYL-4-PHENYLBUT-3-EN-2-OLSCHEMBL560994
Show more names
2-[(E)-Styryl]-2-propanol(E)-2-Methyl-4-phenyl-3-buten-2-olα,α-Dimethyl-trans-cinnamyl alcohol(E)-4-Phenyl-2-methyl-3-butene-2-ol
SCHEMBL2155158AHTMRLFEKXDXJS-CMDGGOBGSA-NAKOS024324892(3E)-2-methyl-4-phenyl-3-buten-2-olCS-0278154EN300-1869159
Database identifiers
- CAS
25625-21-2、57132-28-2- PubChem CID
- 6282889
- DTXSID
DTXSID60886221- EC Number
- 632-666-9
- Nikkaji
- J1.235.029E、J429.334G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 80 °C · 80 °C(Press: 0.3 Torr)
- Density
- 1.007 · 1.007±0.06 g/cm3(Predicted)
- pka
- 14.75 · 14.75±0.29(Predicted)
- EPA Substance Registry System
- 3 · 3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)- (57132-28-2)
- 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.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 3-Buten-2-ol, 2-methyl-4-phenyl-, (E)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Buten-2-ol, 2-methyl-4-phenyl-, (3E)-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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