3,5-Di-tert-butyl-4-hydroxybenzoic acid

C15H22O3CAS 1421-49-4250.34 g/mol

Open in Covalent MOL file
OOHHO
Carboxylic acidPhenol

Properties

Molecular formula
C15H22O3
Molar mass
250.34 g/mol
Exact mass
250.1569 Da
Melting point
218–219 °C
logP
3.69Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1421-49-4
SMILES
CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)c1O
InChIKey
YEXOWHQZWLCHHD-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

Weigh it out

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

Names and synonyms

9 names
  • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
  • Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-
  • 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid
  • 2,6-Di-tert-butyl-4-carboxyphenol
  • F 2 (Antioxidant)
  • F 2
  • 4-Hydroxy-3,5-di-tert-butylbenzoic acid
  • 4-Carboxy-2,6-di-tert-butylphenol
  • 3,5-Ditert-butyl-4-hydroxybenzoic acid

Work with 3,5-Di-tert-butyl-4-hydroxybenzoic acid

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

3',5'-Bis(tert-butyl)-4'-hydroxyacetophenone14035-33-764 % similar 3,5-Bis(tert-butyl)benzoic acid16225-26-659 % similar 5-tert-Butylisophthalic acid2359-09-359 % similar Methyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate2511-22-058 % similar 4-Hydroxy-3,5-dimethylbenzoic acid4919-37-355 % similar 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzeneacetic acid1611-03-654 % similar Gallic acid149-91-753 % similar 2,4,6-Tri-tert-butylphenol732-26-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylhexyl salicylate118-60-5 Octyl p-hydroxybenzoate1219-38-1 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-6 Nardosinone23720-80-1 Octyloxybenzoic acid2493-84-7 Gemfibrozil25812-30-0 2-Ethylhexyl 4-hydroxybenzoate5153-25-3 n-Octyl salicylate6969-49-9

Elsewhere

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