Benzyl alcohol

C₇H₈OCAS 100-51-6108.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈O
Molar mass: 108.14 g/mol
Exact mass: 108.0575 Da
Density: 1.0419 g/mL (at 20 °C)
Melting point: −15.2 °C
Boiling point: 205.3 °C
pKa: 15.4
Flash point: 93.3 °C (closed cup)
Water solubility: miscible
logP: 1.18Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowedAcute toxicity, oral
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

100-51-6

SMILES

OCc1ccccc1

InChIKey

WVDDGKGOMKODPV-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2

Weigh it out

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

Names and synonyms

13 names · show all

Sunmorl BK 20
NSC 8044
TB 13G
GTA 220
Benzenemethanol
Benzenecarbinol
Phenylcarbinol
Phenylmethanol
Phenylmethyl alcohol
α-Toluenol
(Hydroxymethyl)benzene
α-Hydroxytoluene
Benzylic alcohol

Reactions

Work with Benzyl alcohol

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

Similar compounds

[1,1′-Biphenyl]-4-methanol3597-91-970 % similar 1,4-Benzenedimethanol589-29-769 % similar 1,3-Benzenedimethanol626-18-663 % similar (4-Phenoxyphenyl)methanol2215-78-361 % similar 4-(Phenylthio)benzenemethanol6317-56-261 % similar 3-Biphenylmethanol69605-90-961 % similar (4-(Benzyloxy)phenyl)methanol836-43-160 % similar 4,4'-Bis(hydroxymethyl)biphenyl1667-12-558 % similar

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

Same formula

Anisole100-66-3 P-Cresol106-44-5 M-Cresol108-39-4 (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one13173-09-6 O-Cresol-D8203645-65-2 Nortricyclenone-3695-05-6 O-Cresol95-48-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia