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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
Names and Synonyms:
Linoleyl Alcohol
9,12-Octadecadien-1-ol, (9Z,12Z)-
9,12-Octadecadien-1-ol, (Z,Z)-
Linoleyl alcohol
(9Z,12Z)-9,12-Octadecadien-1-ol
Linolyl alcohol
cis, cis-9,12-Octadecadienyl alcohol
cis,cis-9,12-Octadecadienol
Octadeca-9-cis,12-cis-dien-1-ol
9-cis,12-cis-Octadecadienol
Linoleic alcohol
HD-Ocenol 110/30
(Z,Z)-9,12-Octadecadien-1-ol
Linolic alcohol
(9Z,12Z)-Octadeca-9,12-dien-1-ol
cis-1-Hydroxy-9,12-octadecadiene
Identifiers:
SMILES:
CCCCC/C=CC/C=CCCCCCCCCO
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-
Key Properties
Boiling Point
148-150 °C
CAS Common Chemistry
Melting Point
-5--2 °C
CAS Common Chemistry
Density
0.86 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 | 266.47 g/mol | CAS Common Chemistry |
| 266.4689999999999 g/mol | RDKit | |
| 266.260965708 g/mol | RDKit | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8612 g/cm3 @ Temp: 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 |
| Molar Refractivity | 86.44380000000005 | RDKit |
