2,6-Di-tert-butylphenol

C₁₄H₂₂OCAS 128-39-2206.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₂₂O
Molar mass: 206.33 g/mol
Exact mass: 206.1671 Da
Density: 0.914 g/mL (at 20 °C)
Melting point: 37 °C
Boiling point: 253 °C
Water solubility: 400 mg/L (25 °C)
logP: 3.99Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation80.1% of notifiers
H400 Very toxic to aquatic life74.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects79.8% of notifiers

Aggregated from 1,066 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

128-39-2

SMILES

CC(C)(C)c1cccc(C(C)(C)C)c1O

InChIKey

DKCPKDPYUFEZCP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

25 names · show all

2,6-Di-(1,1-Dimethylethyl)phenol
Aladdin 1138077
KY 02
Phenol, 2,6-bis(1,1-dimethylethyl)-
Phenol, 2,6-di-tert-butyl-
2,6-Bis(1,1-dimethylethyl)phenol
2,6-Bis(tert-butyl)phenol
2,6-Di-tert-butylhydroxybenzene
2,6-Di-t-butylphenol
Ethyl 701
Isonox 103
Ethyl AN 701
AN 701
Hitec 4701
NSC 49175
T 502 (Antioxidant)
T 502
Na lube AO 242
Ethanox 4733
Agidol 0
Ethanox 4701
2,6-tert-Butylphenol
2,6-Di-tert-butyl-4-phenol
Antioxidant T 502
Kerobit TP 26

Work with 2,6-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-tert-Butyl-6-methylphenol2219-82-172 % similar 3-tert-Butyl-2-hydroxybenzaldehyde24623-65-262 % similar 2,4,6-Tri-tert-butylphenol732-26-356 % similar 2-tert-Butylphenol88-18-656 % similar Butylated hydroxytoluene128-37-054 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-252 % similar 4,4'-Methylenebis(2,6-di-tert-butylphenol)118-82-152 % similar 2,6-Bis(1,1-dimethylethyl)-4-mercaptophenol950-59-452 % similar

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

Same formula

8-Phenyl-1-octanol10472-97-6 3,5-Di-tert-butylphenol1138-52-9 Alpha-isomethyl ionone127-51-5 Methylionone1335-46-2 4-tert-Octylphenol140-66-9 4-N-Octylphenol1806-26-4 Octylphenol27193-28-8 (+-)-Cashmeran33704-61-9

Elsewhere

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