2-tert-Butyl-4-methylphenol

C₁₁H₁₆OCAS 2409-55-4164.25 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₁H₁₆O
Molar mass: 164.25 g/mol
Exact mass: 164.1201 Da
Density: 0.9247 g/mL (at 75 °C)
Melting point: 55 °C
Boiling point: 237 °C
Flash point: 105 °C
Water solubility: insoluble
logP: 3.00Crippen 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 damage92.6% of notifiers
H318 Causes serious eye damage36.9% of notifiers
H335 May cause respiratory irritation52.3% of notifiers
H411 Toxic to aquatic life with long lasting effects19.3% of notifiers

Aggregated from 176 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

2409-55-4

SMILES

Cc1ccc(O)c(C(C)(C)C)c1

InChIKey

IKEHOXWJQXIQAG-UHFFFAOYSA-N

InChI

InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3

Weigh it out

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

Names and synonyms

10 names

Phenol, 2-(1,1-dimethylethyl)-4-methyl-
p-Cresol, 2-tert-butyl-
2-(1,1-Dimethylethyl)-4-methylphenol
4-Methyl-2-tert-butylphenol
2-tert-Butyl-p-cresol
o-tert-Butyl-p-cresol
4-Methyl-2-(1,1-dimethylethyl)phenol
4-Methyl-6-tert-butylphenol
2-tert-Butyl-4-cresol
NSC 60301

Work with 2-tert-Butyl-4-methylphenol

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

3-Methyl-6-tert-butylphenol88-60-871 % similar tert-Butylhydroquinone1948-33-062 % similar 2,4-Di-tert-butylphenol96-76-462 % similar 4-Bromo-2-tert-butylphenol10323-39-460 % similar 2,5-Di-tert-butylhydroquinone88-58-458 % similar 4-Methylcatechol452-86-856 % similar Butylated hydroxytoluene128-37-055 % similar Butylated hydroxyanisole121-00-655 % similar

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

Same formula

2-Methyl-4-phenyl-2-butanol103-05-9 5-Phenyl-1-pentanol10521-91-2 4-Pentylphenol14938-35-3 1-Adamantanecarboxaldehyde2094-74-8 2-tert-Butyl-6-methylphenol2219-82-1 Jasmone488-10-8 4-tert-Butylanisole5396-38-3 1-Phenyl-1-pentanol583-03-9

Elsewhere

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