4-Isopropylphenol
Properties
- Molecular formula
- C9H12O
- Molar mass
- 136.19 g/mol
- Exact mass
- 136.0888 Da
- Density
- 0.97 g/mL (at 15 °C)
- Melting point
- 62.3 °C
- Boiling point
- 230 °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 swallowed100% of notifiers
- H312 Harmful in contact with skin95.6% of notifiers
- H314 Causes severe skin burns and eye damage99.2% of notifiers
- H332 Harmful if inhaled95.6% of notifiers
Aggregated from 1,430 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, 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
99-89-8SMILES
CC(C)c1ccc(O)cc1InChIKey
YQUQWHNMBPIWGK-UHFFFAOYSA-NInChI
InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/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, 4-(1-methylethyl)-
- Phenol, p-isopropyl-
- 4-(1-Methylethyl)phenol
- p-Isopropylphenol
- Australol
- p-Cumenol
- NSC 1888
- 4-(Propan-2-yl)phenol
Work with 4-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
1,4-Diisopropylbenzene100-18-567 % similar
1-(4-Hydroxyphenyl)ethanol2380-91-858 % similar
4,4'-Diisopropylbiphenyl18970-30-457 % similar
4,4′,4′′-Methylidynetrisphenol603-44-157 % similar
1-Bromo-4-isopropylbenzene586-61-857 % similar
3-Isopropylphenol618-45-154 % similar
P-Cymene99-87-652 % similar
4-sec-Butylphenol99-71-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.