Basic information
- CAS
16145-97-4- Standard SMILES
Cc1ccc(C(C)(O)C2CC2)cc1- InChIKey
IJYCFWNBUFSFNP-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- alpha-Cyclopropyl-alpha,4-dimethylbenzenemethanol
- IUPAC
- 1-cyclopropyl-1-(4-methylphenyl)ethanol
- English name
- alpha-cyclopropyl-alpha-4-dimethylbenzyl alcohol
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
33446-27-4alpha-Cyclopropyl-alpha-4-dimethylbenzyl alcoholRefChem:1076463alpha-Cyclopropyl-alpha,4-dimethylbenzenemethanol251-525-91-Cyclopropyl-1-(p-tolyl)ethanol1-cyclopropyl-1-(4-methylphenyl)ethanol16145-97-4dl-Cyclopropyl methyl p-tolyl carbinol1-(4-Methylphenyl)-1-cyclopropyl ethanol1-Cyclopropyl-1-(4-methylphenyl)ethan-1-olNSC 93953
Show more names
α-Cyclopropyl-α,4-dimethylbenzenemethanolα-Cyclopropyl-α,4-dimethylbenzenemethanolDL-α-Cyclopropyl-α,4-dimethylbenzyl AlcoholBenzenemethanol, α-cyclopropyl-α,4-dimethyl-
dl-1-Cyclopropyl-1-(p-tolyl)ethanolBRN 2250934Ethanol, 1-cyclopropyl-1-(p-tolyl)-, dl-Ethanol, dl-NSC93953dl-alpha-Cyclopropyl-alpha,p-dimethylbenzyl alcoholEINECS 251-525-9MFCD00065230
Database identifiers
- CAS
16145-97-4、33446-27-4- PubChem CID
- 98258
- DTXSID
DTXSID10955072- EC Number
- 251-525-9
- Nikkaji
- J308.488D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 110 · 110-115 °C(Press: 0.9-2 Torr)
- Density
- 1.083 · 1.083±0.06 g/cm3(Predicted)
- pka
- 14.49 · 14.49±0.29(Predicted)
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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