2,4-Dimethyl-6-tert-butylphenol

C₁₂H₁₈OCAS 1879-09-0178.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈O
Molar mass: 178.27 g/mol
Exact mass: 178.1358 Da
Melting point: 22.3 °C
Boiling point: 249 °C
logP: 3.31Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50.9% of notifiers
H302 Harmful if swallowed90% of notifiers
H310 Fatal in contact with skin31.1% of notifiers
H315 Causes skin irritation93% of notifiers
H319 Causes serious eye irritation91.2% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure36.4% of notifiers
H411 Toxic to aquatic life with long lasting effects86.6% of notifiers

Aggregated from 890 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P405, P501

Identifiers

CAS number

1879-09-0

SMILES

Cc1cc(C)c(O)c(C(C)(C)C)c1

InChIKey

OPLCSTZDXXUYDU-UHFFFAOYSA-N

InChI

InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3

Weigh it out

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

Names and synonyms

19 names · show all

Topanol A
Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-
2,4-Xylenol, 6-tert-butyl-
2-(1,1-Dimethylethyl)-4,6-dimethylphenol
2-tert-Butyl-4,6-dimethylphenol
6-tert-Butyl-2,4-xylenol
6-tert-Butyl-2,4-dimethylphenol
6-(1,1-Dimethylethyl)-2,4-dimethylphenol
M 24
M 24 (Antioxidant)
Antioxidant 30
2-Methyl-6-tert-butyl-p-cresol
NSC 8130
4,6-Dimethyl-2-tert-butylphenol
2-tert-Butyl-4,6-methylphenol
Lowinox 624
Antioxidant TBX
NA 30
NA 30 (polymerization inhibitor)

Work with 2,4-Dimethyl-6-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

Butylated hydroxytoluene128-37-077 % similar 2,2′-Methylenebis[4-methyl-6-tert-butylphenol]119-47-163 % similar 2,2'-Thiobis(4-methyl-6-tert-butylphenol)90-66-463 % similar Antioxidant 73696-66-263 % similar Mesitol527-60-662 % similar 2-tert-Butyl-6-methylphenol2219-82-153 % similar 2-Amino-4,6-dimethylphenol41458-65-550 % similar 2,4,6-Tri-tert-butylphenol732-26-350 % similar

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

Same formula

α-Ethyl-α-methylbenzenepropanol10415-87-9 Benzyl isopentyl ether122-73-6 Amylmetacresol1300-94-3 Cyclohexenylcyclohexanone1502-22-3 1-Acetyladamantane1660-04-4 Propofol2078-54-8 6-Phenyl-1-hexanol2430-16-2 2,3,4,5,6,6-Hexamethylcyclohexa-2,4-dien-1-one3854-96-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia