Back to Search
Molecule
Cyclamen Aldehyde
CAS: 103-95-7 · C13H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 103-95-7
- Molecular Formula
- C13H18O
- Molecular Mass
- 190.29 g/mol
Identifiers
CAS Registry Number
103-95-7
SMILES
CC(C=O)Cc1ccc(C(C)C)cc1
InChI Key
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
Names and Synonyms
- Cyclamen Aldehyde Synonym
- Benzenepropanal, α-methyl-4-(1-methylethyl)- Synonym
- Hydrocinnamaldehyde, p-isopropyl-α-methyl- Synonym
- α-Methyl-4-(1-methylethyl)benzenepropanal Synonym
- Cyclamal Synonym
- p-Isopropyl-α-methylhydrocinnamaldehyde Synonym
- α-Methyl-p-isopropylhydrocinnamaldehyde Synonym
- 2-Methyl-3-(p-isopropylphenyl)propionaldehyde Synonym
- Cyclamen aldehyde Synonym
- 3-p-Cumenyl-2-methylpropionaldehyde Synonym
- 3-(p-Isopropylphenyl)-2-methylpropionaldehyde Synonym
- 4-Isopropyl-α-methylhydrocinnamic aldehyde Synonym
- 3-(4-Isopropylphenyl)-2-methylpropanal Synonym
- Cymal Synonym
- 2-Methyl-3-(4-isopropylphenyl)propionaldehyde Synonym
- Cyclosal perfume Synonym
- Cyclosal Synonym
- 3-(4-Isopropylphenyl)isobutyraldehyde Synonym
- 2-Methyl-3-(p-isopropylphenyl)propanal Synonym
- 2-Methyl-3-(4-isopropylphenyl)propanal Synonym
- 2-Methyl-3-[4-(propan-2-yl)phenyl]propanal Synonym
- 2-Methyl-3-(4-propan-2-ylphenyl)propanal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.29 g/mol | CAS Common Chemistry |
| 190.286 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.9502 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclamen_aldehyde | CAS Common Chemistry |
| Canonical SMILES | O=CC(C)CC1=CC=C(C=C1)C(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ZFNVDHOSLNRHNN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclamen aldehyde | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.1875000000000018 | RDKit |
| 3.1875 | RDKit | |
| 3.41 | chempirical lib | |
| Molar Refractivity | 59.463000000000044 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4615 | RDKit |
| 0.46 | chempirical lib | |
| Exact Mass | 190.135765196 g/mol | RDKit |
| Boiling Point | 133-137 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 190.29 g/mol; density = 0.950 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H18O.
