4-Ethylphenol
Properties
- Molecular formula
- C8H10O
- Molar mass
- 122.17 g/mol
- Exact mass
- 122.0732 Da
- Density
- 1.011 g/mL (at 20 °C)
- Melting point
- 46 °C
- Boiling point
- 217.9 °C
- pKa
- 10 (25 °C), 10.38 (20 °C)
- Flash point
- 103.9 °C (open cup)
- logP
- 1.95Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage86% of notifiers
- H318 Causes serious eye damage81.3% of notifiers
Aggregated from 1,875 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
123-07-9SMILES
CCc1ccc(O)cc1InChIKey
HXDOZKJGKXYMEW-UHFFFAOYSA-NInChI
InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Phenol, 4-ethyl-
- Phenol, p-ethyl-
- p-Ethylphenol
- 1-Ethyl-4-hydroxybenzene
- (4-Hydroxyphenyl)ethane
- (p-Hydroxyphenyl)ethane
- p-Hydroxyethylbenzene
- NSC 62012
Work with 4-Ethylphenol
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
4-(4-Ethylphenyl)phenol21345-28-886 % similar
1,4-Diethylbenzene105-05-567 % similar
4-Propylphenol645-56-761 % similar
Bisphenol F620-92-857 % similar
1-Bromo-4-ethylbenzene1585-07-557 % similar
4-Butylphenol1638-22-856 % similar
4-Pentylphenol14938-35-354 % similar
4-(4-N-Propylphenyl)phenol59748-39-954 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.