Benzenemethanol, alpha,4-dimethyl-, 1-acetate
Basic information
- CAS
19759-40-1- Standard SMILES
CC(=O)OC(C)c1ccc(C)cc1- InChIKey
HOKHCDLSYKTSOU-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- Benzenemethanol, alpha,4-dimethyl-, 1-acetate
- IUPAC
- 1-(4-methylphenyl)ethyl acetate
- English name
- alpha,4-dimethylbenzyl acetate
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
19759-40-1EINECS 243-273-3Benzyl alcohol, p,alpha-dimethyl-, acetateBenzenemethanol, alpha,4-dimethyl-, acetateBenzenemethanol, alpha,4-dimethyl-, 1-acetateDTXSID40864901Benzenemethanol, .alpha.,4-dimethyl-, 1-acetateRefChem:117678DTXCID90813368alpha,4-Dimethylbenzyl acetate1-(4-methylphenyl)ethyl acetateBenzenemethanol, .alpha.,4-dimethyl-, acetate
Show more names
ACETIC ACID 1-P-TOLYL-ETHYL ESTER1-(4-Methylphenyl)ethanol acetateα,4-Dimethylbenzenemethanol acetatealpha,4-dimethyl-benzenemethano acetateBenzenemethanol, α,4-dimethyl-, 1-acetateAcetic acid α-methyl-4-methylbenzyl esterAcetic acid 1-(4-methylphenyl)ethyl ester
1-(p-methylphenyl)ethyl acetateSCHEMBL137778891(4-methylphenyl) ethyl acetateHOKHCDLSYKTSOU-UHFFFAOYSA-NDB-253746NS00047631
Database identifiers
- CAS
19759-40-1- PubChem CID
- 89214
- DTXSID
DTXSID40864901- EC Number
- 243-273-3
- Nikkaji
- J225.266J
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 169
Physicochemical properties
- Boiling point
- 233.6 · 233.6±9.0 °C(Predicted)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 4 · Benzenemethanol, .alpha.,4-dimethyl-, acetate (19759-40-1)
- 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.,4-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.,4-dimethyl-, 1-acetate: INACTIVE
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Compound notes
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