2-Isopropylphenol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Density
- 0.9929 g/mL (at 25 °C)
- Melting point
- 15.5 °C
- Boiling point
- 213.5 °C
- Flash point
- 104.4 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed99.2% of notifiers
- H312 Harmful in contact with skin84.2% of notifiers
- H314 Causes severe skin burns and eye damage85.7% of notifiers
Aggregated from 1,618 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
88-69-7SMILES
CC(C)c1ccccc1OInChIKey
CRBJBYGJVIBWIY-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Phenol, 2-(1-methylethyl)-
- Phenol, o-isopropyl-
- 2-(1-Methylethyl)phenol
- o-Isopropylphenol
- o-Hydroxycumene
- o-Cumenol
- NSC 5103
- 2-(Propan-2-yl)phenol
Work with 2-Isopropylphenol
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
Bis(1-methylethyl)benzene25321-09-962 % similar
Propofol2078-54-856 % similar
o-sec-Butylphenol89-72-555 % similar
4-Isopropylresorcinol23504-03-254 % similar
Thymol89-83-852 % similar
O-Cymene527-84-450 % similar
1-Bromo-2-(1-methylethyl)benzene7073-94-150 % similar
2-Cyclohexylphenol119-42-648 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.