α-Methylcinnamaldehyde
Properties
- Molecular formula
- C10H10O
- Molar mass
- 146.19 g/mol
- Exact mass
- 146.0732 Da
- Density
- 1.0538 g/mL (at 20 °C)
- Boiling point
- 251.6 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
101-39-3SMILES
CC(C=O)=Cc1ccccc1InChIKey
VLUMOWNVWOXZAU-UHFFFAOYSA-NInChI
InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 2-Propenal, 2-methyl-3-phenyl-
- Cinnamaldehyde, α-methyl-
- 2-Methyl-3-phenyl-2-propenal
- α-Methylcinnamic aldehyde
- 2-Methyl-3-phenylacrolein
- 2-Methyl-3-phenylacrylaldehyde
- NSC 22283
- NSC 49286
- 2-Methylcinnamic aldehyde
- 2-Methyl-3-phenylpropenal
- Methylcinnamaldehyde
- 2-Methyl-3-phenyl-2-propen-1-al
Work with α-Methylcinnamaldehyde
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
α-Bromocinnamaldehyde5443-49-253 % similar
(2-Methyl-1-propen-1-yl)benzene768-49-052 % similar
2-Methyl-3-(2-furyl)acrolein874-66-852 % similar
3-(Phenylmethylene)-2,4-pentanedione4335-90-448 % similar
3-Methyl-4-phenyl-3-buten-2-one1901-26-447 % similar
Amylcinnamaldehyde122-40-746 % similar
Hexyl cinnamaldehyde101-86-045 % similar
α-Methylcinnamic acid1199-77-544 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.