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Molecule
Linoleyl Alcohol
CAS: 506-43-4 · C18H34O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 506-43-4
- Molecular Formula
- C18H34O
- Molecular Mass
- 266.47 g/mol
Identifiers
CAS Registry Number
506-43-4
SMILES
CCCCC/C=CC/C=CCCCCCCCCO
InChI Key
JXNPEDYJTDQORS-HZJYTTRNSA-N
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9-
Names and Synonyms
- Linoleyl Alcohol Synonym
- 9,12-Octadecadien-1-ol, (9Z,12Z)- Synonym
- 9,12-Octadecadien-1-ol, (Z,Z)- Synonym
- Linoleyl alcohol Synonym
- (9Z,12Z)-9,12-Octadecadien-1-ol Synonym
- Linolyl alcohol Synonym
- cis, cis-9,12-Octadecadienyl alcohol Synonym
- cis,cis-9,12-Octadecadienol Synonym
- Octadeca-9-cis,12-cis-dien-1-ol Synonym
- 9-cis,12-cis-Octadecadienol Synonym
- Linoleic alcohol Synonym
- HD-Ocenol 110/30 Synonym
- (Z,Z)-9,12-Octadecadien-1-ol Synonym
- Linolic alcohol Synonym
- (9Z,12Z)-Octadeca-9,12-dien-1-ol Synonym
- cis-1-Hydroxy-9,12-octadecadiene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.47 g/mol | CAS Common Chemistry |
| 266.4689999999999 g/mol | RDKit | |
| 266.469 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8612 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Linoleyl_alcohol | CAS Common Chemistry |
| Boiling Point | 148-150 °C | CAS Common Chemistry |
| Canonical SMILES | OCCCCCCCCC=CCC=CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6-,10-9- | CAS Common Chemistry |
| InChI Key | InChIKey=JXNPEDYJTDQORS-HZJYTTRNSA-N | CAS Common Chemistry |
| Melting Point | -5--2 °C | CAS Common Chemistry |
| Name | Linoleyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.7922000000000065 | RDKit |
| 5.7922 | RDKit | |
| 6.26 | chempirical lib | |
| Molar Refractivity | 86.44380000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 266.260965708 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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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.
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MW = 266.47 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
