4-(1-Phenylethyl)-1,3-benzenediol
Properties
- Molecular formula
- C14H14O2
- Molar mass
- 214.26 g/mol
- Exact mass
- 214.0994 Da
- Melting point
- 79 °C
- Boiling point
- 243–244 °C (at 12 Torr)
- logP
- 3.25Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed96.4% of notifiers
- H318 Causes serious eye damage92.9% of notifiers
- H411 Toxic to aquatic life with long lasting effects96.4% of notifiers
Aggregated from 28 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501
Identifiers
CAS number
85-27-8SMILES
CC(c1ccccc1)c1ccc(O)cc1OInChIKey
PQSXNIMHIHYFEE-UHFFFAOYSA-NInChI
InChI=1S/C14H14O2/c1-10(11-5-3-2-4-6-11)13-8-7-12(15)9-14(13)16/h2-10,15-16H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 1,3-Benzenediol, 4-(1-phenylethyl)-
- Resorcinol, 4-(α-methylbenzyl)-
- 4-(α-Methylbenzyl)resorcinol
- 4-(1-Phenylethyl)resorcinol
- 4-(1-Phenylethyl)resorcin
- 4-(1-Phenylethyl)benzene-1,3-diol
- SymWhite 377
Work with 4-(1-Phenylethyl)-1,3-benzenediol
Similar compounds
4-Isopropylresorcinol23504-03-258 % similar
1,1-Diphenylethane612-00-047 % similar
3-Isopropylphenol618-45-142 % similar
Hydroxyquinol533-73-341 % similar
Phenylhydroquinone1079-21-641 % similar
3-[1-(Dimethylamino)ethyl]phenol105601-04-540 % similar
(S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-840 % similar
4-Methylresorcinol496-73-140 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.