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Methyl Oleate
CAS: 112-62-9 | C19H36O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
112-62-9
Molecular Formula:
C19H36O2
Molecular Mass:
296.50 g/mol
Names and Synonyms:
Methyl Oleate
9-Octadecenoic acid (9Z)-, methyl ester
Oleic acid, methyl ester
9-Octadecenoic acid (Z)-, methyl ester
Emery 2301
Methyl oleate
Emerest 2801
Methyl (Z)-9-octadecenoate
Methyl cis-9-octadecenoate
cis-9-Octadecenoic acid methyl ester
Edenor MeTiO5
Witconol 2301
(Z)-9-Octadecenoic acid methyl ester
Esterol 112
Priolube 1403
Nissan Unister M 182A
Exceparl M-OL
Unister M 182A
ADJ 100
Phytorob 926-67
Edenor Me 90/95V
Radia 7060
Agnique ME 181U
Carolube 1885
Agrique ME 181-1
Priolube 1400
Synative ES-ME-V
CE 1897
Pernil MeTiO5
Synative ES ME TI 05
cis-Oleic acid methyl ester
Amesolv CME
M 182A
Ti 05
Methyl (9Z)-9-octadecenoate
Toenol 2180
Agnique ME 181
Exceparl MOL
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OC
InChI:
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
Key Properties
Boiling Point
218.5 °C @ Press: 20 Torr
CAS Common Chemistry
Melting Point
-19.9 °C
CAS Common Chemistry
Density
0.87 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 | 296.50 g/mol | CAS Common Chemistry |
| 296.49499999999995 g/mol | RDKit | |
| 296.271530392 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8739 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 218.5 °C @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10- | CAS Common Chemistry |
| InChI Key | InChIKey=QYDYPVFESGNLHU-KHPPLWFESA-N | CAS Common Chemistry |
| Melting Point | -19.9 °C | CAS Common Chemistry |
| Name | Methyl oleate | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 6.1969000000000065 | RDKit |
| Molar Refractivity | 91.46800000000007 | RDKit |
