3-tert-Butylphenol
Properties
- Molecular formula
- C10H14O
- Molar mass
- 150.22 g/mol
- Exact mass
- 150.1045 Da
- Melting point
- 42.3 °C
- Boiling point
- 240 °C
- logP
- 2.69Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage43.5% of notifiers
Aggregated from 177 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
585-34-2SMILES
CC(C)(C)c1cccc(O)c1InChIKey
CYEKUDPFXBLGHH-UHFFFAOYSA-NInChI
InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Phenol, 3-(1,1-dimethylethyl)-
- Phenol, m-tert-butyl-
- 3-(1,1-Dimethylethyl)phenol
- m-tert-Butylphenol
- 3-t-Butylphenol
- 5-tert-Butyl-1-hydroxybenzene
Work with 3-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
1,3-Di-tert-butylbenzene1014-60-465 % similar
3,5-Di-tert-butylphenol1138-52-960 % similar
3-(Trifluoromethyl)phenol98-17-957 % similar
4-tert-Butylphenol98-54-454 % similar
Resorcinol108-46-352 % similar
1-Bromo-3-tert-butylbenzene3972-64-352 % similar
3-(1,1-Dimethylethyl)benzenamine5369-19-752 % similar
(3-tert-Butylphenyl)boronic acid560132-24-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.