Perillaldehyde

C10H14OCAS 18031-40-8150.22 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C10H14O
Molar mass
150.22 g/mol
Exact mass
150.1045 Da
Density
0.968 g/mL (at 15 °C)
Melting point
below 25 °C
Boiling point
104.5 °C
logP
2.49Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
18031-40-8
SMILES
C=C(C)[C@@H]1CC=C(C=O)CC1
InChIKey
RUMOYJJNUMEFDD-SNVBAGLBSA-N
InChI
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • Perillaldehyde, (-)-
  • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (4S)-
  • 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, (S)-(-)-
  • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (S)-
  • (4S)-4-(1-Methylethenyl)-1-cyclohexene-1-carboxaldehyde
  • (-)-Perillaldehyde
  • (4S)-p-Mentha-1,8-dien-7-al
  • (-)-(S)-Perillaldehyde
  • l-Perillaldehyde
  • (S)-(-)-Perillaldehyde
  • (S)-(-)-Perillic aldehyde
  • (-)-Perilla aldehyde
  • (S)-Perillaldehyde
  • (S)-4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carboxaldehyde
  • (S)-4-(Prop-1-En-2-yl)cyclohex-1-enecarbaldehyde
  • (4S)-4-(Prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde
  • (4S)-4-Prop-1-en-2-ylcyclohexene-1-carbaldehyde

Work with Perillaldehyde

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.

Perillaldehyde2111-75-3Stereo not defined

Similar compounds

Perillartine30950-27-761 % similar 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 (-)-Perillyl alcohol18457-55-153 % similar Perillyl alcohol536-59-453 % similar Perillic acid7694-45-353 % 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 1-Methoxy-2,3,5-trimethylbenzene20469-61-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia