(+)-1-Phenylethanol

C₈H₁₀OCAS 1517-69-7122.17 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₈H₁₀O
Molar mass: 122.17 g/mol
Exact mass: 122.0732 Da
Melting point: 9–11 °C
Boiling point: 98 °C
logP: 1.74Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed97.8% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage95.7% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1517-69-7

SMILES

C[C@@H](O)c1ccccc1

InChIKey

WAPNOHKVXSQRPX-SSDOTTSWSA-N

InChI

InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

38 names · show all

1-Phenylethanol, (R)-
Benzenemethanol, α-methyl-, (αR)-
Benzyl alcohol, α-methyl-, (R)-(+)-
Benzenemethanol, α-methyl-, (R)-
(αR)-α-Methylbenzenemethanol
D-(+)-Methylphenylcarbinol
(+)-α-Methylbenzyl alcohol
(R)-α-Methylbenzyl alcohol
(R)-(+)-α-Hydroxyethylbenzene
(+)-α-Phenylethanol
d-1-Phenylethanol
(R)-(+)-α-Phenylethanol
D-(+)-α-Phenylethanol
(R)-(+)-α-Methylbenzyl alcohol
d-α-Phenethyl alcohol
(R)-α-Phenylethanol
R(+)-Phenylethanol
(R)-(+)-α-Methylbenzenemethanol
(R)-1-Phenylethyl alcohol
(R)-(+)-α-Phenethyl alcohol
(R)-Phenylmethylcarbinol
(R)-1-Phenylethanol
(+)-sec-Phenethyl alcohol
(R)-sec-Phenethyl alcohol
(R)-α-Hydroxyethylbenzene
(+)-1-Phenylethyl alcohol
(R)-α-Phenethyl alcohol
(+)-α-Phenethyl alcohol
(R)-α-Methylbenzenemethanol
R-α-Methylbenzyl alcohol
(R)-(+)-sec-Phenethyl alcohol
(R)-sec-Phenylethyl alcohol
(R)-Phenylethanol
(R)-(+)-1-Phenylethanol
(1R)-1-Phenylethanol
(R)-(+)-Phenylethanol
(R)-1-Phenylethan-1-ol
(1R)-1-Phenylethan-1-ol

Work with (+)-1-Phenylethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-1-Phenylethanol1445-91-6Enantiomer 1-Phenylethanol98-85-1Stereo not defined 1-Phenylethanol13323-81-4Stereo not defined

Similar compounds

1-(4-Biphenylyl)ethanol3562-73-074 % similar 1-(4-Hydroxyphenyl)ethanol2380-91-858 % similar (R)-(+)-1-(4-Pyridyl)ethanol27854-88-258 % similar p,Alpha-DIMETHYLBENZYL ALCOHOL536-50-558 % similar (S)-(-)-1-(4-Pyridyl)ethanol54656-96-158 % similar (1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-156 % similar (R)-1-(4-Fluorophenyl)ethanol101219-68-556 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methylanisole100-84-5 Ethyl phenyl ether103-73-1 4-Methylanisole104-93-8 2,4-Dimethylphenol105-67-9 3,5-Dimethylphenol108-68-9 4-Ethylphenol123-07-9 Dimethylphenol1300-71-6

Elsewhere

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