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Molecule
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
Identifiers
CAS Registry Number
5333-42-6
SMILES
CCCCCCCCCCC(CO)CCCCCCCC
InChI Key
LEACJMVNYZDSKR-UHFFFAOYSA-N
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
Names and Synonyms
- Octyldodecanol Synonym
- 1-Dodecanol, 2-octyl- Synonym
- 2-Octyl-1-dodecanol Synonym
- 2-Octyldodecanol Synonym
- Eutanol G Synonym
- 2-Octyldodecyl alcohol Synonym
- Exxal 20 Synonym
- Rilanit G 20 Synonym
- Isofol 20 Synonym
- Kalcohl 200GD Synonym
- Kalcohl 200G Synonym
- NSC 2405 Synonym
- Guerbet C20 Synonym
- Risonol 20SP Synonym
- Fine Oxocol 2000 Synonym
- OHV 180 Synonym
- Jarcol I 20 Synonym
- NJCOL 200A Synonym
- Eutanol G-PH Synonym
- Kollicream OD Synonym
- Tegosoft G 20 Synonym
- Octyldodecanol Synonym
- Octyldodecyl alcohol Synonym
- Eutanol G-JP Synonym
- Polymol G Synonym
- 2-Decyl-1-decanol Synonym
- Eutanol GJ-P Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 298.55 g/mol | CAS Common Chemistry |
| 298.555 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8463 g/cm3 @ 19 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Octyldodecanol | 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 |
| 6.8763 | RDKit | |
| Molar Refractivity | 95.79580000000009 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 298.323565964 g/mol | RDKit |
| Boiling Point | 230 °C @ 17 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 298.55 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
