chempirical

Cuminaldehyde

C10H12OCAS 122-03-2148.20 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C10H12O
Molar mass
148.20 g/mol
Exact mass
148.0888 Da
Density
0.9799 g/mL (at 30 °C)
Melting point
97 °C
Boiling point
235.5 °C
logP
2.62Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,792 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
122-03-2
SMILES
CC(C)c1ccc(C=O)cc1
InChIKey
WTWBUQJHJGUZCY-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3

Weigh it out

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Names and synonyms

16 names · show all
  • Benzaldehyde, 4-(1-methylethyl)-
  • Benzaldehyde, p-isopropyl-
  • 4-(1-Methylethyl)benzaldehyde
  • Cumaldehyde
  • Cumic aldehyde
  • Cuminal
  • Cuminic aldehyde
  • p-Isopropylbenzaldehyde
  • 4-Isopropylbenzaldehyde
  • Cuminyl aldehyde
  • p-Cumic aldehyde
  • p-Isopropylbenzenecarboxaldehyde
  • NSC 4886
  • 4-Isopropylphenylcarboxaldehyde
  • 4-(Propan-2-yl)benzaldehyde
  • 4-i-Propylbenzaldehyde

Work with Cuminaldehyde

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

1,4-Diisopropylbenzene100-18-557 % similar 4-Methylbenzaldehyde104-87-050 % similar 4-Isopropoxybenzaldehyde18962-05-550 % similar 4-Isobutylbenzaldehyde40150-98-950 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-850 % similar 3-[4-(1-Methylethyl)phenyl]-2-propenoic acid3368-21-647 % similar P-Cymene99-87-646 % similar Cyclamen aldehyde103-95-745 % similar

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

Same formula

1-Phenyl-2-butanone1007-32-5 Anethole104-46-1 5,6,7,8-Tetrahydro-2-naphthol1125-78-6 Estragole140-67-0 Allyl benzyl ether14593-43-2 1-(2,5-Dimethylphenyl)ethanone2142-73-6 Benzylacetone2550-26-7 4-Propylbenzaldehyde28785-06-0

Elsewhere

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