Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
Basic information
- CAS
3425-72-7- Standard SMILES
CC(=O)OC(C)(C)c1ccccc1- InChIKey
XPMMKIYJJWQFOR-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- Benzenemethanol, alpha,alpha-dimethyl-, 1-acetate
- IUPAC
- 2-phenylpropan-2-yl acetate
- English name
- 1-methyl-1-phenylethyl acetate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.22766
Names & synonyms
EINECS 222-322-2Benzenemethanol, alpha,alpha-dimethyl-, acetateBenzenemethanol, .alpha.,.alpha.-dimethyl-, acetateAI3-24749Benzyl alcohol, alpha,alpha-dimethyl-, acetateDTXSID00863172Benzenemethanol, alpha,alpha-dimethyl-, 1-acetateBenzenemethanol, .alpha.,.alpha.-dimethyl-, 1-acetateRefChem:563520DTXCID208118322-phenylpropan-2-yl acetate3425-72-7
Show more names
α,α-Dimethylbenzenemethanol acetateBenzenemethanol, α,α-dimethyl-, acetateAcetic acid 1-methyl-1-phenylethyl ester
cumyl acetate1-Methyl-1-phenylethyl acetateSCHEMBL424581-Methyl-1-phenylethyl acetate #Acetic acid, 2-phenyl-2-propyl esterDB-251639NS00049469
Database identifiers
- CAS
3425-72-7- PubChem CID
- 76963
- DTXSID
DTXSID00863172- EC Number
- 222-322-2
- Nikkaji
- J205.521J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- EPA Substance Registry System
- Benzenemethanol, .alpha.,.alpha.-dimethyl-, acetate (3425-72-7)
- 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: Benzenemethanol, .alpha.,.alpha.-dimethyl-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, .alpha.,.alpha.-dimethyl-, 1-acetate: INACTIVE
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Related reactions
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Compound notes
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