2-tert-Butylphenol
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Density
- 0.9783 g/mL (at 20 °C)
- Melting point
- −6.8 °C
- Boiling point
- 223 °C
- pKa
- 10.28
- Flash point
- 80 °C (closed cup)
- Water solubility
- 2 g/L (20 °C)
- logP
- 2.69Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed99.4% of notifiers
- H311 Toxic in contact with skin75.9% of notifiers
- H312 Harmful in contact with skin18.8% of notifiers
- H314 Causes severe skin burns and eye damage43.5% of notifiers
- H315 Causes skin irritation56.5% of notifiers
- H318 Causes serious eye damage20.6% of notifiers
- H319 Causes serious eye irritation56.5% of notifiers
- H330 Fatal if inhaled10.2% of notifiers
- H332 Harmful if inhaled32.5% of notifiers
- H400 Very toxic to aquatic life60.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects55.9% of notifiers
- H411 Toxic to aquatic life with long lasting effects39% of notifiers
Aggregated from 798 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
88-18-6SMILES
CC(C)(C)c1ccccc1OInChIKey
WJQOZHYUIDYNHM-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Phenol, 2-(1,1-dimethylethyl)-
- Phenol, o-tert-butyl-
- 2-(1,1-Dimethylethyl)phenol
- o-tert-Butylphenol
- 2-tert-Butyl-1-hydroxybenzene
- o-t-Butylphenol
Work with 2-tert-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
2,6-Di-tert-butylphenol128-39-256 % similar
2,5-Di-tert-butylhydroquinone88-58-454 % similar
2-(Trifluoromethyl)phenol444-30-454 % similar
tert-Butylhydroquinone1948-33-054 % similar
2,4-Di-tert-butylphenol96-76-454 % similar
Octylphenol27193-28-853 % similar
4-Bromo-2-tert-butylphenol10323-39-452 % similar
2-tert-Butyl-4-methylphenol2409-55-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.