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Linoleic Acid
CAS: 60-33-3 | C18H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60-33-3
Molecular Formula:
C18H32O2
Molecular Mass:
280.45 g/mol
Names and Synonyms:
Linoleic Acid
9,12-Octadecadienoic acid (9Z,12Z)-
Linoleic acid
9,12-Octadecadienoic acid (Z,Z)-
(9Z,12Z)-9,12-Octadecadienoic acid
9Z,12Z-Linoleic acid
cis-9,cis-12-Octadecadienoic acid
Polylin 515
cis,cis-Linoleic acid
Unifac 6550
Linolic acid
9,12-Octadecadienoic acid, (Z,Z)-
(Z,Z)-9,12-Octadecadienoic acid
cis-Δ9,12-Octadecadienoic acid
C18:2
α-Linoleic acid
9-cis,12-cis-Linoleic acid
all-cis-9,12-Octadecadienoic acid
Emersol 315
Extra Linoleic 90
9Z,12Z-Octadecadienoic acid
Ronacare ASC 3
CA 1726
(9Z,12Z)-Octadec-9,12-dienoic acid
9,12-Octadecanoic acid
Identifiers:
SMILES:
CCCCC/C=CC/C=CCCCCCCCC(=O)O
InChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
Key Properties
Boiling Point
365.2 °C
CAS Common Chemistry
Melting Point
-12 °C
CAS Common Chemistry
Density
0.90 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 | 280.45 g/mol | CAS Common Chemistry |
| 280.4519999999999 g/mol | RDKit | |
| 280.240230264 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9022 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Linoleic_acid | CAS Common Chemistry |
| Boiling Point | 365.2 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCC=CCC=CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- | CAS Common Chemistry |
| InChI Key | InChIKey=OYHQOLUKZRVURQ-HZJYTTRNSA-N | CAS Common Chemistry |
| Melting Point | -12 °C | CAS Common Chemistry |
| Name | Linoleic acid | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 14 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 5.884500000000005 | RDKit |
| Molar Refractivity | 86.99380000000006 | RDKit |
