2,4-Di-tert-amylphenol

C₁₆H₂₆OCAS 120-95-6234.38 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₁₆H₂₆O
Molar mass: 234.38 g/mol
Exact mass: 234.1984 Da
Melting point: 27 °C
Boiling point: 169–170 °C
logP: 4.77Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage28.6% of notifiers
H315 Causes skin irritation24.2% of notifiers
H318 Causes serious eye damage24.2% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H400 Very toxic to aquatic life44% of notifiers
H410 Very toxic to aquatic life with long lasting effects27.5% of notifiers

Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

120-95-6

SMILES

CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1

InChIKey

WMVJWKURWRGJCI-UHFFFAOYSA-N

InChI

InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3

Weigh it out

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

Names and synonyms

8 names

Phenol, 2,4-bis(1,1-dimethylpropyl)-
Phenol, 2,4-di-tert-pentyl-
2,4-Bis(1,1-dimethylpropyl)phenol
2,4-Di-tert-pentylphenol
2,4-Bis(tert-pentyl)phenol
2,4-Di(1,1-dimethylpropyl)phenol
NSC 158351
2,4-Bis(2-methylbutan-2-yl)phenol

Work with 2,4-Di-tert-amylphenol

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

2,5-Bis(1,1-dimethylpropyl)-1,4-benzenediol79-74-367 % similar 4-tert-Pentylphenol80-46-655 % similar 2,4-Di-tert-butylphenol96-76-450 % similar (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid13402-96-549 % similar tert-Amylbenzene2049-95-845 % similar 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid13403-01-545 % similar 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid50772-35-545 % similar Uv-32825973-55-145 % similar

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

Same formula

2,6-Di-tert-butyl-4-ethylphenol4130-42-1 Tetramethyl acetyloctahydronaphthalenes54464-57-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook