Back to Search
Octyldodecanol
CAS: 5333-42-6 | C20H42O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5333-42-6
Molecular Formula:
C20H42O
Molecular Mass:
298.55 g/mol
Names and Synonyms:
Octyldodecanol
1-Dodecanol, 2-octyl-
2-Octyl-1-dodecanol
2-Octyldodecanol
Eutanol G
2-Octyldodecyl alcohol
Exxal 20
Rilanit G 20
Isofol 20
Kalcohl 200GD
Kalcohl 200G
NSC 2405
Guerbet C20
Risonol 20SP
Fine Oxocol 2000
OHV 180
Jarcol I 20
NJCOL 200A
Eutanol G-PH
Kollicream OD
Tegosoft G 20
Octyldodecanol
Octyldodecyl alcohol
Eutanol G-JP
Polymol G
2-Decyl-1-decanol
Eutanol GJ-P
Identifiers:
SMILES:
CCCCCCCCCCC(CO)CCCCCCCC
InChI:
InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3
Key Properties
Boiling Point
230 °C @ Press: 17 Torr
CAS Common Chemistry
Density
0.85 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 | 298.55 g/mol | CAS Common Chemistry |
| 298.555 g/mol | RDKit | |
| 298.323565964 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8463 g/cm3 @ Temp: 19 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octyldodecanol | CAS Common Chemistry |
| Boiling Point | 230 °C @ Press: 17 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC(CCCCCCCC)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LEACJMVNYZDSKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Octyldodecanol | CAS Common Chemistry |
| Octyldodecanol | CAS Common Chemistry | |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 6.8763000000000085 | RDKit |
| Molar Refractivity | 95.79580000000009 | RDKit |
