3,5-Di-tert-butylphenol

C₁₄H₂₂OCAS 1138-52-9206.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₂O
Molar mass: 206.33 g/mol
Exact mass: 206.1671 Da
Melting point: 93.5–94 °C
logP: 3.99Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

1138-52-9

SMILES

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1

InChIKey

ZDWSNKPLZUXBPE-UHFFFAOYSA-N

InChI

InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3

Weigh it out

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

Names and synonyms

7 names

Phenol, 3,5-bis(1,1-dimethylethyl)-
Phenol, 3,5-di-tert-butyl-
3,5-Bis(1,1-dimethylethyl)phenol
3,5-Di-t-butylphenol
NSC 68209
3,5-Bis(tert-butyl)phenol
3,5-Ditert-butylphenol

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

Similar compounds

1,3,5-Tri-tert-butylbenzene1460-02-267 % similar 3-tert-Butylphenol585-34-260 % similar 4-tert-Butylphenol98-54-457 % similar 3,5-Di-tert-butyltoluene15181-11-052 % similar 2,4,6-Tri-tert-butylphenol732-26-352 % similar 3,5-Di-T-butylphenylboronic acid197223-39-550 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-950 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-150 % similar

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

Same formula

8-Phenyl-1-octanol10472-97-6 Alpha-isomethyl ionone127-51-5 2,6-Di-tert-butylphenol128-39-2 Methylionone1335-46-2 4-tert-Octylphenol140-66-9 4-N-Octylphenol1806-26-4 Octylphenol27193-28-8 (+-)-Cashmeran33704-61-9

Elsewhere

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