3,5-Di-tert-butyl-4-hydroxybenzyl alcohol

C₁₅H₂₄O₂CAS 88-26-6236.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₄O₂
Molar mass: 236.35 g/mol
Exact mass: 236.1776 Da
Melting point: 137.9 °C
logP: 3.48Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation95.6% of notifiers
H319 Causes serious eye irritation95.6% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 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

88-26-6

SMILES

CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O

InChIKey

HNURKXXMYARGAY-UHFFFAOYSA-N

InChI

InChI=1S/C15H24O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,16-17H,9H2,1-6H3

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Names and synonyms

13 names · show all

Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
Benzyl alcohol, 3,5-di-tert-butyl-4-hydroxy-
3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenemethanol
2,6-Di-tert-butyl-4-hydroxymethylphenol
4-Hydroxymethyl-2,6-di-tert-butylphenol
Ionox 100
4-Hydroxy-3,5-di-tert-butylbenzyl alcohol
AO 754
Ethanox 754
3,5-Di-tert-butyl-4-hydroxyphenylmethanol
NSC 159133
3,5-Di-t-butyl-4-hydroxy-benzyl alcohol
Butylated hydroxymethylphenol

Work with 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol

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

4,4'-Methylenebis(2,6-di-tert-butylphenol)118-82-170 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-166 % similar 2,6-Di-tert-butyl-α-(dimethylamino)-p-cresol88-27-759 % similar 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile1611-07-058 % similar 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene1709-70-258 % similar 2,4,6-Tri-tert-butylphenol732-26-357 % similar Butylated hydroxytoluene128-37-055 % similar 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-654 % similar

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

Same formula

Curdione13657-68-6 (-)-Curcumol4871-97-0 2,6-Di-tert-butyl-4-methoxyphenol489-01-0 5-(1,1-Dimethylheptyl)resorcinol56469-10-4 Dihydroartemisinic acid85031-59-0

Elsewhere

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