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Methyl Ricinoleate
CAS: 141-24-2 | C19H36O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
141-24-2
Molecular Formula:
C19H36O3
Molecular Mass:
312.49 g/mol
Names and Synonyms:
Methyl Ricinoleate
9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)-
Ricinoleic acid, methyl ester
9-Octadecenoic acid, 12-hydroxy-, methyl ester, [R-(Z)]-
Flexricin P 1
Methyl ricinoleate
cis-Ricinoleic acid methyl ester
Methyl 12-D-hydroxy-9-cis-octadecenoate
Methyl ricinate
Ricinic acid methyl ester
NSC 1254
Edenor Me-Ri 90
K-PON 180
K-PON 180HP
Ricinoleic methyl ester
Methyl (R)-ricinoleate
Methyl cis-(R)-12-hydroxyoctadec-9-enoate
Radia 7081
Identifiers:
SMILES:
CCCCCC[C@@H](O)C/C=CCCCCCCCC(=O)OC
InChI:
InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1
Key Properties
Boiling Point
245 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
-4.5 °C
CAS Common Chemistry
Density
0.92 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 | 312.49 g/mol | CAS Common Chemistry |
| 312.49399999999997 g/mol | RDKit | |
| 312.26644501199996 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9236 g/cm3 @ Temp: 22 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_ricinoleate | CAS Common Chemistry |
| Boiling Point | 245 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)CCCCCCCC=CCC(O)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XKGDWZQXVZSXAO-ADYSOMBNSA-N | CAS Common Chemistry |
| Melting Point | -4.5 °C | CAS Common Chemistry |
| Name | Methyl ricinoleate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 5.167700000000005 | RDKit |
| Molar Refractivity | 92.85780000000007 | RDKit |
