2,4,6-Tri-tert-butylphenol
Properties
- Molecular formula
- C18H30O
- Molar mass
- 262.44 g/mol
- Exact mass
- 262.2297 Da
- Density
- 0.864 g/mL (at 27 °C)
- Melting point
- 131 °C
- Boiling point
- 278 °C
- pKa
- 12.19
- Flash point
- 130 °C (closed cup)
- Water solubility
- 35 mg/L (25 °C)
- logP
- 5.28Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H317 May cause an allergic skin reactionSensitization, Skin
- H360D May damage the unborn childReproductive toxicity
- H373 May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P203, P260, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P405, P501
Identifiers
CAS number
732-26-3SMILES
CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1InChIKey
PFEFOYRSMXVNEL-UHFFFAOYSA-NInChI
InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- Phenol, 2,4,6-tris(1,1-dimethylethyl)-
- Phenol, 2,4,6-tri-tert-butyl-
- 2,4,6-Tris(1,1-dimethylethyl)phenol
- P 23
- Alkofen B
- 2,4,6-Tri-tert-butyl-1-hydroxybenzene
- TM 02
- 2,4,6-Tris(tert-butyl)phenol
- Voidox
- Tri-tert-butylphenol
- P 23 (Phenol)
- NSC 14459
- 2,4,6-Tri-t-butylphenol
- Antioxidant 333
- Antioxidant Q 46
- 2,4,6-Tritert-butylphenol
Work with 2,4,6-Tri-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
3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol6390-69-879 % similar
3,5-Di-tert-butylcatechol1020-31-176 % similar
2-Bromo-4,6-di-tert-butylphenol20834-61-170 % similar
Butylated hydroxytoluene128-37-064 % similar
3,5-Di-tert-butylsalicylaldehyde37942-07-763 % similar
4-Bromo-2,6-di-tert-butylphenol1139-52-262 % similar
4,4'-Methylenebis(2,6-di-tert-butylphenol)118-82-162 % similar
2,6-Bis(1,1-dimethylethyl)-4-mercaptophenol950-59-462 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds