chempirical

4-tert-Butylcatechol

C10H14O2CAS 98-29-3166.22 g/mol

Open in Covalent MOL file
OHOH
Phenol

Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Melting point
54.3 °C
Boiling point
285 °C
logP
2.40Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
98-29-3
SMILES
CC(C)(C)c1ccc(O)c(O)c1
InChIKey
XESZUVZBAMCAEJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3

Weigh it out

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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. All similar compounds

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 Camphoroquinone10334-26-6 Bornane-2,3-dione10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid16200-53-6 4-Butylresorcinol18979-61-8

Elsewhere

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