CAS 34281-92-0 (+)-trans-2-Phenylcyclohexanol (HCID 9898975)

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Basic information

CAS: 34281-92-0
Standard SMILES: O[C@H]1CCCC[C@@H]1c1ccccc1
InChIKey: AAIBYZBZXNWTPP-NEPJUHHUSA-N
Molecular formula: C12H16O
Average molar mass: 176.25 g/mol
Monoisotopic mass: 176.12011513

Names & identifiers

Preferred name: (+)-trans-2-Phenylcyclohexanol
IUPAC: trans-(1S,2R)-2-phenylcyclohexan-1-ol
English name: (1S,2R)-(+)-trans-2-Phenyl-1-cyclohexanol
Molecular formula: C12H16O
Molecular weight: 176.25

Names & synonyms

34281-92-0(1S,2R)-(+)-trans-2-Phenyl-1-cyclohexanol(1S,2R)-2-Phenyl-1-cyclohexanolD2U0RW1Y61(+)-trans-2-Phenylcyclohexanol(1S-Trans)-2-phenylcyclohexanol2-Phenylcyclohexanol, (1S,2R)-(+)-trans-2-Phenyl-1-cyclohexanoltrans-(1S,2R)-2-PhenylcyclohexanolCyclohexanol, 2-phenyl-, (1S,2R)-Cyclohexanol, 2-phenyl-, (1S-trans)-Cyclohexanol, 2-phenyl-, (1S,2R)-(+)-

Show more names

2β-Phenylcyclohexan-1α-ol(1α)-2β-Phenylcyclohexanol(1R)-2α-Phenylcyclohexanol(1R)-2α-Phenyl-1β-cyclohexanol(1S)-2β-Phenylcyclohexane-1α-ol(1S,2R)-2-Phenylcyclohexane-1-ol

RefChem:1049011(1S,2R)-2-Phenylcyclohexanol(1S,2R)-2-phenylcyclohexan-1-olMFCD00066432(s)-trans-2-phenylcyclohexanolT1491(1S,2R)-(+)-trans-2-Phenyl-1-cyclohexanol, 99%(1S,2R)-trans-2-Phenyl-1-cyclohexanol, puriss., >=99.0% (sum of enantiomers, GC)

Database identifiers

CAS: 34281-92-0
PubChem CID: 9898975
DTXSID: DTXSID30432512
UNII: D2U0RW1Y61
Nikkaji: J88.928H

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 64 · 64-66 °C(lit.)
Boiling point: 276 · 276-281 °C(lit.)
Density: 0.9452 · 0.9452 (rough estimate)
refractive index: 60 ° · 60 ° (C=10, MeOH)
storage temp.: 2 · 2-8°C
solubility: almost transparency in Methanol
form: powder to crystal
pka: 15.05 · 15.05±0.40(Predicted)
color: White to Almost white
optical activity: 20 · [α]20/D +58°, c = 7 in methanol
BRN: 4669439 · 4669439
InChI: 1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11-13H,4-5,8-9H2/t11-,12+/m1/s1
InChIKey: AAIBYZBZXNWTPP-NEPJUHHUSA-N
SMILES: O[C@H]1CCCC[C@@H]1c2ccccc2
CAS DataBase Reference: 34281 · 34281-92-0(CAS DataBase Reference)

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2906.29.6000
safety_code: 23-24/25
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications

Uses(1S,2R)-(+)-trans-2-Phenyl-1-cyclohexanol can be used as a substrate in the study of permeability of alcohol enantiomers through the imprinted membranes to determine the permeability coefficient.