tert-Butylhydroquinone
Properties
- Molecular formula
- C10H14O2
- Molar mass
- 166.22 g/mol
- Exact mass
- 166.0994 Da
- Density
- 1.05 g/mL
- Melting point
- 126.5–128.5 °C
- Boiling point
- 295 °C
- pKa
- 10.7 (22 °C)
- Flash point
- 171 °C (closed cup)
- Water solubility
- 2 g/L (30 °C)
- logP
- 2.40Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312 Harmful if swallowed or in contact with skin19.5% of notifiers
- H302 Harmful if swallowed95.9% of notifiers
- H312 Harmful in contact with skin29.9% of notifiers
- H315 Causes skin irritation25.6% of notifiers
- H317 May cause an allergic skin reaction33.4% of notifiers
- H319 Causes serious eye irritation45% of notifiers
- H400 Very toxic to aquatic life36.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects13.2% of notifiers
Aggregated from 2,730 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
1948-33-0SMILES
CC(C)(C)c1cc(O)ccc1OInChIKey
BGNXCDMCOKJUMV-UHFFFAOYSA-NInChI
InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
29 names · show all
- Mono-tert-butylhydroquinone
- 1,4-Benzenediol, 2-(1,1-dimethylethyl)-
- Hydroquinone, tert-butyl-
- 2-(1,1-Dimethylethyl)-1,4-benzenediol
- 2-tert-Butylhydroquinone
- tert-Butyl-1,4-benzenediol
- TBHQ
- MTBHQ
- Mono-tertiarybutylhydroquinone
- t-Butylhydroquinone
- 2-tert-Butyl-1,4-benzenediol
- 2-(1,1-Dimethylethyl)hydroquinone
- 2-(tert-Butyl)-p-hydroquinone
- Banox 20BA
- Tenox TBHQ
- 2-tert-Butyl-1,4-hydroquinone
- 2-tert-Butyl-1,4-dihydroxybenzene
- Tenox 20
- NSC 4972
- Keniox 20
- tert-Butyldihydroxybenzene
- 2-t-Butylhydroquinone
- MC-TB 20
- Grindox 450
- Grindox 204
- tert-Butyl-1,4-dihydroxybenzene
- 2-tert-Butyl-4-hydroxyphenol
- Stearer TBH
- PI 172
Work with tert-Butylhydroquinone
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
4-Bromo-2-tert-butylphenol10323-39-468 % similar
2,4-Di-tert-butylphenol96-76-464 % similar
2-tert-Butyl-4-methylphenol2409-55-462 % similar
2,5-Di-tert-butylhydroquinone88-58-460 % similar
Butylated hydroxyanisole121-00-656 % similar
Butylated hydroxyanisole25013-16-556 % similar
2-tert-Butyl-4-ethylphenol96-70-856 % similar
2-tert-Butylphenol88-18-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.