3,5-Di-tert-butylcatechol

C₁₄H₂₂O₂CAS 1020-31-1222.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₂O₂
Molar mass: 222.33 g/mol
Exact mass: 222.1620 Da
Melting point: 99–100 °C
logP: 3.69Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1020-31-1

SMILES

CC(C)(C)c1cc(O)c(O)c(C(C)(C)C)c1

InChIKey

PJZLSMMERMMQBJ-UHFFFAOYSA-N

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all

1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-
Pyrocatechol, 3,5-di-tert-butyl-
3,5-Bis(1,1-dimethylethyl)-1,2-benzenediol
4,6-Di-tert-butylpyrocatechol
3,5-Di-tert-butylpyrocatechol
3,5-Di-t-butylcatechol
3,5-Di-tert-butyl-1,2-benzenediol
3,5-Di-tert-butyl-1,2-dihydroxybenzene
3,5-Di-tert-butyl-o-hydroquinone
4,6-Di-tert-butyl-1,2-benzenediol
3,5-Bis(tert-butyl)catechol
NSC 59767
DTBQH2
3,5-Di-tert-Butyl-1,2-Hydroxybenzene
3,5-Ditert-butylbenzene-1,2-diol

Work with 3,5-Di-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tri-tert-butylphenol732-26-376 % similar 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol6390-69-868 % similar 2-Bromo-4,6-di-tert-butylphenol20834-61-161 % similar 2,4-Di-tert-butylphenol96-76-457 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-756 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-253 % similar 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-653 % similar Butylated hydroxytoluene128-37-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-(Octyloxy)phenol3780-50-5 Isobornyl methacrylate7534-94-3 1,1'-Ethynylenedicyclohexanol78-54-6 2,5-Di-tert-butylhydroquinone88-58-4

Elsewhere

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