Basic information
- CAS
71617-15-7- Standard SMILES
CC(=O)OC(C)(C)Cc1ccc(C)cc1- InChIKey
ZZRMFTYRQORIEE-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- Benzeneethanol, alpha,alpha,4-trimethyl-, 1-acetate
- IUPAC
- [2-methyl-1-(4-methylphenyl)propan-2-yl] acetate
- English name
- alpha,alpha,4-trimethylphenethyl acetate
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
71617-15-74,alpha,alpha-Trimethylbenzeneethanol acetateEINECS 275-707-2DTXSID90887948Benzeneethanol, alpha,alpha,4-trimethyl-, acetateBenzeneethanol, alpha,alpha,4-trimethyl-, 1-acetateBenzeneethanol, .alpha.,.alpha.,4-trimethyl-, 1-acetateRefChem:117594DTXCID301027230alpha,alpha,4-Trimethylphenethyl acetate2-methyl-1-(4-methylphenyl)propan-2-yl acetateBenzeneethanol, .alpha.,.alpha.,4-trimethyl-, acetate
Show more names
Benzeneethanol, α,α,4-trimethyl-, 1-acetate4-Methyl-ALPHA,ALPHA-dimethylbenzyl carbinyl acetateAcetic acid 1,1-dimethyl-2-(4-methylphenyl)ethyl ester
ZZRMFTYRQORIEE-UHFFFAOYSA-NNS00061645
Database identifiers
- CAS
71617-15-7- PubChem CID
- 166175
- DTXSID
DTXSID90887948- EC Number
- 275-707-2
- Nikkaji
- J298.963H
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzeneethanol, .alpha.,.alpha.,4-trimethyl-, acetate (71617-15-7)
- 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: Benzeneethanol, .alpha.,.alpha.,4-trimethyl-, 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 InformationBenzeneethanol, .alpha.,.alpha.,4-trimethyl-, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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