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Dodecanal
CAS: 112-54-9 | C12H24O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-54-9
Molecular Formula:
C12H24O
Molecular Mass:
184.32 g/mol
Names and Synonyms:
Dodecanal
Dodecanal
Lauraldehyde
Dodecyl aldehyde
Lauric aldehyde
Lauryl aldehyde
n-Lauraldehyde
n-Dodecyl aldehyde
n-Dodecanal
1-Dodecanal
Dodecanaldehyde
Laurinaldehyde
NSC 46128
NSC 52196
NSC 55212
Identifiers:
SMILES:
CCCCCCCCCCCC=O
InChI:
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
Key Properties
Boiling Point
185 °C
CAS Common Chemistry
Melting Point
44.5 °C
CAS Common Chemistry
Density
0.84 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.32 g/mol | CAS Common Chemistry |
| 184.32299999999998 g/mol | RDKit | |
| 184.182715388 g/mol | RDKit | |
| Density | 0.84 g/cm³ | CAS Common Chemistry |
| 0.8352 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dodecanal | CAS Common Chemistry |
| Boiling Point | 185 °C | CAS Common Chemistry |
| Canonical SMILES | O=CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HFJRKMMYBMWEAD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 44.5 °C | CAS Common Chemistry |
| Name | Dodecanal | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.106200000000003 | RDKit |
| Molar Refractivity | 57.90800000000005 | RDKit |
