Perillyl alcohol

C10H16OCAS 536-59-4152.24 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C10H16O
Molar mass
152.24 g/mol
Exact mass
152.1201 Da
Density
0.964 g/mL (at 29 °C)
Melting point
271–272 °C
Boiling point
244 °C
logP
2.28Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,574 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
536-59-4
SMILES
C=C(C)C1CC=C(CO)CC1
InChIKey
NDTYTMIUWGWIMO-UHFFFAOYSA-N
InChI
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-
  • p-Mentha-1,8-dien-7-ol
  • 4-(1-Methylethenyl)-1-cyclohexene-1-methanol
  • Perillic alcohol
  • Perilla alcohol
  • Perillol
  • Dl-Perillyl alcohol
  • NSC 641066
  • (±)-Perillyl alcohol
  • 4-Isopropenyl-1-cyclohexene-methanol
  • 4-Isopropenyl-1-cyclohexenylmethanol
  • (4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanol
  • [4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol
  • (4-Prop-1-en-2-ylcyclohexen-1-yl)methanol

Work with Perillyl alcohol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(-)-Perillyl alcohol18457-55-1Defined stereoisomer

Similar compounds

1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-359 % similar (+)-Limonene5989-27-559 % similar (S)-Limonene5989-54-859 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene7705-14-859 % similar Perillaldehyde18031-40-853 % similar Perillaldehyde2111-75-353 % similar Perillartine30950-27-753 % similar Perillic acid7694-45-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Pinene oxide1686-14-2 (-)-Myrtenol19894-97-4 (-)-cis-Carveol2102-59-2 (±)-Camphor21368-68-3 (1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol22972-51-6 2,4-Decadienal2363-88-4 (E,E)-2,4-Decadienal25152-84-5

Elsewhere

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