4-sec-Butylphenol
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Density
- 0.9883 g/mL (at 20 °C)
- Melting point
- 61.5 °C
- Boiling point
- 241 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage37.4% of notifiers
- H400 Very toxic to aquatic life26.5% of notifiers
Aggregated from 147 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, P501
Identifiers
CAS number
99-71-8SMILES
CCC(C)c1ccc(O)cc1InChIKey
ZUTYZAFDFLLILI-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Phenol, 4-(1-methylpropyl)-
- Phenol, p-sec-butyl-
- 4-(1-Methylpropyl)phenol
- p-sec-Butylphenol
- 4-(2-Butyl)phenol
- NSC 2210
- (±)-4-sec-Butylphenol
- 4-(Butan-2-yl)phenol
Work with 4-sec-Butylphenol
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
Hexestrol84-16-263 % similar
sec-Butylbenzene135-98-859 % similar
4-(1-Methylpropyl)benzenamine30273-11-159 % similar
4-Isopropylphenol99-89-852 % similar
1-(4-Hydroxyphenyl)ethanol2380-91-848 % similar
4,4′,4′′-Methylidynetrisphenol603-44-146 % similar
o-sec-Butylphenol89-72-545 % similar
4-(trans-4-Propylcyclohexyl)phenol81936-33-643 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.