Basic information
- CAS
63449-93-4- Standard SMILES
CC(Cc1ccccc1)C(C)OC=O- InChIKey
MEHODVFYXPFAME-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Benzenepropanol, alpha,beta-dimethyl-, 1-formate
- IUPAC
- (3-methyl-4-phenylbutan-2-yl) formate
- English name
- 1,2-dimethyl-3-phenylpropyl formate
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
63449-93-4EINECS 264-164-7Benzenepropanol, alpha,beta-dimethyl-, formateDTXSID60886589Benzenepropanol, alpha,beta-dimethyl-, 1-formateBenzenepropanol, .alpha.,.beta.-dimethyl-, 1-formateRefChem:117707DTXCID9010259131,2-Dimethyl-3-phenylpropyl formate3-Methyl-4-phenylbutan-2-yl formateBenzenepropanol, .alpha.,.beta.-dimethyl-, formateMEHODVFYXPFAME-UHFFFAOYSA-N
Show more names
(3-methyl-4-phenylbutan-2-yl) formateBenzenepropanol, α,β-dimethyl-, 1-formateFormic acid 1,2-dimethyl-3-phenylpropyl ester
DB-311409NS00055139
Database identifiers
- CAS
63449-93-4- PubChem CID
- 112652
- DTXSID
DTXSID60886589- EC Number
- 264-164-7
- Nikkaji
- J349.186B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- EPA Substance Registry System
- Benzenepropanol, .alpha.,.beta.-dimethyl-, formate (63449-93-4)
- 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: Benzenepropanol, .alpha.,.beta.-dimethyl-, formate
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 InformationBenzenepropanol, .alpha.,.beta.-dimethyl-, 1-formate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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