2-tert-Butyl-6-methylphenol

C11H16OCAS 2219-82-1164.25 g/mol

Open in Covalent MOL file
OH
Phenol

Properties

Molecular formula
C11H16O
Molar mass
164.25 g/mol
Exact mass
164.1201 Da
Density
0.9957 g/mL (at 20 °C)
Melting point
31 °C
Boiling point
230 °C
logP
3.00Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 134 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
2219-82-1
SMILES
Cc1cccc(C(C)(C)C)c1O
InChIKey
BKZXZGWHTRCFPX-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7,12H,1-4H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.05 (dd, J = 7.7, 1.6 Hz, 1H), 6.85 (dd, J = 7.7, 1.6 Hz, 1H), 6.72 (t, J = 7.7 Hz, 1H), 5.30 (br s, 1H), 2.35 (s, 3H), 1.21 (s, 9H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 152.6, 137.6, 127.4, 124.5, 123.5, 120.5, 42.6, 31.5, 19.8.
[M + H]+
[M + H]+ Calcd for C11H17O 165.1274
[M + Na]+
[M + Na]+ Calcd for C11H16NaO 187.1093
[M − H]−
[M − H]− Calcd for C11H15O 163.1128
Elemental analysis
Anal. Calcd for C11H16O: C, 80.44; H, 9.82.

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 2-(1,1-dimethylethyl)-6-methyl-
  • o-Cresol, 6-tert-butyl-
  • 2-(1,1-Dimethylethyl)-6-methylphenol
  • 2-Methyl-6-tert-butylphenol
  • 6-tert-Butyl-o-cresol
  • 6-tert-Butyl-2-methylphenol
  • 4-Hydroxy-3-methyl-5-tert-butylbenzol
  • NSC 78461

Work with 2-tert-Butyl-6-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

2,6-Di-tert-butylphenol128-39-272 % similar Poly(P-phenylene oxide)25134-01-460 % similar 2,6-Xylenol576-26-160 % similar 2,4-Dimethyl-6-tert-butylphenol1879-09-053 % similar 3-tert-Butyl-2-hydroxybenzaldehyde24623-65-253 % similar 3-Methylcatechol488-17-552 % similar 2-Bromo-6-methylphenol13319-71-650 % similar 2-Chloro-6-methylphenol87-64-950 % 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-4-methylphenol2409-55-4 Jasmone488-10-8 1-Ethyl-4-propoxybenzene500862-87-3 4-tert-Butylanisole5396-38-3

Elsewhere

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