Cyclamen aldehyde

C₁₃H₁₈OCAS 103-95-7190.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₈O
Molar mass: 190.29 g/mol
Exact mass: 190.1358 Da
Density: 0.9502 g/mL (at 20 °C)
Boiling point: 133–137 °C (at 9 Torr)
logP: 3.19Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation98.8% of notifiers
H317 May cause an allergic skin reaction95.9% of notifiers
H361 Suspected of damaging fertility or the unborn child12.3% of notifiers
H411 Toxic to aquatic life with long lasting effects15.1% of notifiers
H412 Harmful to aquatic life with long lasting effects76.6% of notifiers

Aggregated from 2,062 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P272, P273, P280, P302+P352, P318, P321, P332+P317, P333+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

103-95-7

SMILES

CC(C=O)Cc1ccc(C(C)C)cc1

InChIKey

ZFNVDHOSLNRHNN-UHFFFAOYSA-N

InChI

InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3

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Names and synonyms

20 names · show all

Benzenepropanal, α-methyl-4-(1-methylethyl)-
Hydrocinnamaldehyde, p-isopropyl-α-methyl-
α-Methyl-4-(1-methylethyl)benzenepropanal
Cyclamal
p-Isopropyl-α-methylhydrocinnamaldehyde
α-Methyl-p-isopropylhydrocinnamaldehyde
2-Methyl-3-(p-isopropylphenyl)propionaldehyde
3-p-Cumenyl-2-methylpropionaldehyde
3-(p-Isopropylphenyl)-2-methylpropionaldehyde
4-Isopropyl-α-methylhydrocinnamic aldehyde
3-(4-Isopropylphenyl)-2-methylpropanal
Cymal
2-Methyl-3-(4-isopropylphenyl)propionaldehyde
Cyclosal perfume
Cyclosal
3-(4-Isopropylphenyl)isobutyraldehyde
2-Methyl-3-(p-isopropylphenyl)propanal
2-Methyl-3-(4-isopropylphenyl)propanal
2-Methyl-3-[4-(propan-2-yl)phenyl]propanal
2-Methyl-3-(4-propan-2-ylphenyl)propanal

Work with Cyclamen aldehyde

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-3-phenylpropionaldehyde5445-77-265 % similar Lilial80-54-660 % similar Helional1205-17-051 % similar Cuminaldehyde122-03-245 % similar 4-Isopropylbenzyl chloride2051-18-545 % similar 4-Isopropylbenzylamine4395-73-745 % similar p-Cymen-7-ol536-60-745 % similar 1,4-Diisopropylbenzene100-18-544 % similar

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

Same formula

2,3-Dihydro-2,2,4,6,7-pentamethylbenzofuran142874-81-5 2-Cyclohexyl-5-methylphenol1596-13-0 Heptanophenone1671-75-6 Bourgeonal18127-01-0 1-(2,3,4,5,6-Pentamethylphenyl)ethanone2040-01-9 1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one23696-85-7 1-(4-Pentylphenyl)ethanone37593-02-5 Spiro[5.7]trideca-1,4-dien-3-one41138-71-0

Elsewhere

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