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Decanal
CAS: 112-31-2 | C10H20O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-31-2
Molecular Formula:
C10H20O
Molecular Mass:
156.27 g/mol
Names and Synonyms:
Decanal
Decanal
Capraldehyde
Capric aldehyde
Caprinaldehyde
Caprinic aldehyde
Decaldehyde
n-Decanal
Decyl aldehyde
n-Decyl aldehyde
Decylic aldehyde
n-Decaldehyde
Decanaldehyde
NSC 6087
Identifiers:
SMILES:
CCCCCCCCCC=O
InChI:
InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
Key Properties
Boiling Point
208.5 °C
CAS Common Chemistry
Melting Point
-5 °C
CAS Common Chemistry
Density
0.83 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 | 156.27 g/mol | CAS Common Chemistry |
| 156.269 g/mol | RDKit | |
| 156.15141526 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.830 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Decanal | CAS Common Chemistry |
| Boiling Point | 208.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KSMVZQYAVGTKIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -5 °C | CAS Common Chemistry |
| Name | Decanal | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.3260000000000023 | RDKit |
| Molar Refractivity | 48.67400000000003 | RDKit |
