4-tert-Butylcatechol
Properties
- Molecular formula
- C10H14O2
- Molar mass
- 166.22 g/mol
- Exact mass
- 166.0994 Da
- Density
- 1.0496 g/mL (at 25 °C)
- Melting point
- 54.3 °C
- Boiling point
- 285 °C
- Flash point
- 130 °C
- logP
- 2.40Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed87.7% of notifiers
- H311 Toxic in contact with skin18.4% of notifiers
- H312 Harmful in contact with skin87.1% of notifiers
- H314 Causes severe skin burns and eye damage98.2% of notifiers
- H317 May cause an allergic skin reaction34% of notifiers
- H318 Causes serious eye damage15.9% of notifiers
- H400 Very toxic to aquatic life13.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects90.7% of notifiers
Aggregated from 2,665 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, P501
Identifiers
CAS number
98-29-3SMILES
CC(C)(C)c1ccc(O)c(O)c1InChIKey
XESZUVZBAMCAEJ-UHFFFAOYSA-NInChI
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
22 names · show all
- 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
- Pyrocatechol, 4-tert-butyl-
- 4-(1,1-Dimethylethyl)-1,2-benzenediol
- 4-tert-Butylpyrocatechol
- p-tert-Butylcatechol
- 4-tert-Butyl-1,2-dihydroxybenzene
- 4-tert-Butylcatechin
- 4-tert-Butyl-1,2-benzenediol
- 1,2-Dihydroxy-4-tert-butylbenzene
- 4-(1,1-Dimethylethyl)benzene-1,2-diol
- 4-(1,1-Dimethylethyl)catechol
- 4-TBC
- p-tert-Butylpyrocatechol
- 4-tert-Butyl-o-catechol
- 5-tert-Butylcatechol
- NSC 5310
- p-t-Butylcatechol
- NLC 10
- Inhibitor NLC 10
- Norpol 9853
- Norpol inhibitor 9853
- TBC
Work with 4-tert-Butylcatechol
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
2,4-Di-tert-butylphenol96-76-469 % similar
4-tert-Butyl-2-methylphenol98-27-167 % similar
2-Amino-4-tert-butylphenol1199-46-864 % similar
2-Bromo-4-tert-butylphenol2198-66-564 % similar
4-tert-Butyl-2-hydroxybenzaldehyde66232-34-660 % similar
5-tert-Butyl-2-hydroxy-benzaldehyde2725-53-358 % similar
4-tert-Butyl-2-nitrophenol3279-07-053 % similar
2,6-Di-tert-butylnaphthalene3905-64-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.