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Ricinoleic Acid
CAS: 141-22-0 | C18H34O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
141-22-0
Molecular Formula:
C18H34O3
Molecular Mass:
298.47 g/mol
Names and Synonyms:
Ricinoleic Acid
9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-
Ricinoleic acid
9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-
(9Z,12R)-12-Hydroxy-9-octadecenoic acid
12-Hydroxy-cis-9-octadecenoic acid
Ricinic acid
Ricinolic acid
12-D-Hydroxy-9-cis-octadecenoic acid
Nouracid CS 80
12-Hydroxyoctadeca-9-enoic acid
Edenor Ri 90
(R)-12-Hydroxyoleic acid
NSC 281242
Cenwax C
CS 80
H 1657
(9Z,12R)-12-Hydroxyoctadec-9-enoic acid
(R)-Ricinoleic acid
Nouracid CZ 80
9-Nonadecenoic acid, 12-hydroxy-, (9Z,12R)-
Identifiers:
SMILES:
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)O
InChI:
InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1
Key Properties
Boiling Point
245 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
5.5 °C
CAS Common Chemistry
Density
0.94 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 | 298.47 g/mol | CAS Common Chemistry |
| 298.4669999999999 g/mol | RDKit | |
| 298.25079494799996 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.940 g/cm3 @ Temp: 27.4 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ricinoleic_acid | CAS Common Chemistry |
| Boiling Point | 245 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCC=CCC(O)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9-/t17-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WBHHMMIMDMUBKC-QJWNTBNXSA-N | CAS Common Chemistry |
| Melting Point | 5.5 °C | CAS Common Chemistry |
| Name | Ricinoleic acid | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 5.079300000000004 | RDKit |
| Molar Refractivity | 88.47760000000007 | RDKit |
