Carvacrol

C10H14OCAS 499-75-2150.22 g/mol

Open in Covalent MOL file
HO
Phenol

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
0.976 g/mL (at 20 °C)
Melting point
1 °C
Boiling point
237–238 °C
Flash point
100 °C
logP
2.82Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,828 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
499-75-2
SMILES
Cc1ccc(C(C)C)cc1O
InChIKey
RECUKUPTGUEGMW-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

Weigh it out

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Names and synonyms

16 names · show all
  • Phenol, 2-methyl-5-(1-methylethyl)-
  • 2-Methyl-5-(1-methylethyl)phenol
  • Antioxine
  • p-Cymen-2-ol
  • 2-Hydroxy-p-cymene
  • 2-Methyl-5-isopropylphenol
  • 5-Isopropyl-2-methylphenol
  • 5-Isopropyl-o-cresol
  • 6-Methyl-3-isopropylphenol
  • 2-Hydroxy-1-methyl-4-(1-methylethyl)benzene
  • 3-Isopropyl-6-methylphenol
  • Isopropyl o-cresol
  • Isothymol
  • NSC 6188
  • Dentol
  • 2-Methyl-5-(propan-2-yl)phenol

Work with Carvacrol

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

Guaiazulene489-84-957 % similar 2-Amino-p-cymene2051-53-855 % similar 4-Methylresorcinol496-73-152 % similar 2,5-Dimethylphenol95-87-452 % similar 2'-Hydroxy-5'-isopropylacetophenone1634-36-250 % similar 5-Amino-2-methylphenol2635-98-548 % similar 5-Amino-2-methylphenol2835-95-248 % similar 5-Bromo-2-methylphenol36138-76-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-phenyl-2-propanol100-86-7 4-Propylanisole104-45-0 Butyl phenyl ether1126-79-0 Safranal116-26-7 (S)-Verbenone1196-01-6 (R)-(+)-2-Methyl-1-phenyl-1-propanol14898-86-3 4-Butylphenol1638-22-8 Perillaldehyde18031-40-8

Elsewhere

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