o-sec-Butylphenol
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Density
- 98.04 g/mL (at 25 °C)
- Melting point
- 14 °C
- Boiling point
- 224–237 °C
- Flash point
- 107.2 °C
- Water solubility
- < 1 g/L (20 °C)
- logP
- 2.91Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed87.9% of notifiers
- H312 Harmful in contact with skin59.8% of notifiers
- H314 Causes severe skin burns and eye damage87.9% of notifiers
- H318 Causes serious eye damage48.8% of notifiers
- H332 Harmful if inhaled59.8% of notifiers
- H411 Toxic to aquatic life with long lasting effects47% of notifiers
Aggregated from 338 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, P501
Identifiers
CAS number
89-72-5SMILES
CCC(C)c1ccccc1OInChIKey
NGFPWHGISWUQOI-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/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, 2-(1-methylpropyl)-
- Phenol, o-sec-butyl-
- 2-(1-Methylpropyl)phenol
- 2-sec-Butylphenol
- 2-(2-Butyl)phenol
- (±)-2-sec-Butylphenol
- 2-(Butan-2-yl)phenol
- 2-Butan-2-ylphenol
Work with o-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
2-Isopropylphenol88-69-755 % similar
sec-Butylbenzene135-98-850 % similar
2-Cyclohexylphenol119-42-645 % similar
4-sec-Butylphenol99-71-845 % similar
Fenobucarb3766-81-245 % similar
2-Ethylphenol90-00-641 % similar
Catechol120-80-938 % similar
2-Propylphenol644-35-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.