Basic information
- CAS
68426-07-3- Standard SMILES
CC(C)C(O)CCc1ccccc1- InChIKey
XMYCBALIUJOUKD-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Benzenepropanol, alpha-(1-methylethyl)-
- IUPAC
- 4-methyl-1-phenylpentan-3-ol
- English name
- 4-methyl-1-phenylpentan-3-ol
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
68426-07-3EINECS 270-387-04-Methyl-1-phenyl-3-pentanolBenzenepropanol, .alpha.-(1-methylethyl)-Benzenepropanol, alpha-(1-methylethyl)-DTXSID90887387RefChem:563664DTXCID3010266824-Methyl-1-phenylpentan-3-olSCHEMBL1089172-methyl-5-phenyl-3-pentanolSCHEMBL7024054
Show more names
1-Phenyl-4-methyl-3-pentanol1-Isopropyl-3-phenyl-1-propanolα-Isopropylhydrocinnamyl alcohol
XMYCBALIUJOUKD-UHFFFAOYSA-NTCA42607AKOS010015591CS-0257101NS00063665EN300-66075G45088Z513750674
Database identifiers
- CAS
68426-07-3- PubChem CID
- 109369
- DTXSID
DTXSID90887387- EC Number
- 270-387-0
- Nikkaji
- J284.083I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- EPA Substance Registry System
- Benzenepropanol, .alpha.-(1-methylethyl)- (68426-07-3)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenepropanol, .alpha.-(1-methylethyl)-: INACTIVE
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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