Basic information
- CAS
4371-50-0- Standard SMILES
Cc1ccc(C(C)CO)cc1- InChIKey
CLFDIFDNDWRHJF-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Overview
2-(4-Methylphenyl)-1-propanol is a monoterpenoid.
Names & identifiers
- Preferred name
- p-Cymen-9-ol
- IUPAC
- 2-(4-methylphenyl)propan-1-ol
- English name
- 2-(4-Methylphenyl)-1-propanol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
4371-50-0p-Cymen-9-olDTXSID801018187RefChem:1094187DTXCID5014764272-(4-methylphenyl)propan-1-ol2-(p-Tolyl)propan-1-ol2-(4-Methylphenyl)-1-propanolMFCD00036662beta,4-Dimethyl-BenzeneethanolNSC-53092-p-tolylpropan-1-ol
Show more names
2-p-Tolyl-1-propanolβ,4-DimethylbenzeneethanolBenzeneethanol, β,4-dimethyl-4,β-Dimethylphenethyl alcohol
2-(p-Tolyl)-1-propanolbeta,4-DimethylbenzeneethanolNSC5309para-cymen-9-olCymene-9-olcymen-9-ol (para-)starbld0027764p-Cymen-9-ol, 8CI
Database identifiers
- CAS
4371-50-0- PubChem CID
- 95376
- DTXSID
DTXSID801018187- ChEBI
CHEBI:195898- UNII
- 9EX9W95RE8
- Nikkaji
- J132.739I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 124 °C · 124 °C(Press: 17 Torr)
- Density
- 0.9865 g/cm3 · 0.9865 g/cm3(Temp: 21 °C)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 14.83 · 14.83±0.10(Predicted)
- form
- Oil
- color
- Colourless
- LogP
- 2.289 · 2.289 (est)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Suppliers4 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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