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Ethyl Oleate
CAS: 111-62-6 | C20H38O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-62-6
Molecular Formula:
C20H38O2
Molecular Mass:
310.52 g/mol
Names and Synonyms:
Ethyl Oleate
9-Octadecenoic acid (9Z)-, ethyl ester
9-Octadecenoic acid (Z)-, ethyl ester
Oleic acid, ethyl ester
Ethyl oleate
Ethyl cis-9-octadecenoate
Esterol 123
Crodamol EO
Nikkol EOO
Nofable EO 99
Ethyl (Z)-9-octadecenoate
Clearbright E 81S
Ethyl (9Z)-octadecenoate
Aethylis oleas
Nofable EO 85S
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OCC
InChI:
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
Key Properties
Boiling Point
195-200 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
-24.3 °C
CAS Common Chemistry
Density
0.88 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 | 310.52 g/mol | CAS Common Chemistry |
| 310.522 g/mol | RDKit | |
| 310.287180456 g/mol | RDKit | |
| Density | 0.88 g/cm³ | CAS Common Chemistry |
| 0.8842 g/cm3 @ Temp: 27 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_oleate | CAS Common Chemistry |
| Boiling Point | 195-200 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11- | CAS Common Chemistry |
| InChI Key | InChIKey=LVGKNOAMLMIIKO-QXMHVHEDSA-N | CAS Common Chemistry |
| Melting Point | -24.3 °C | CAS Common Chemistry |
| Name | Ethyl oleate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 6.587000000000008 | RDKit |
| Molar Refractivity | 96.08500000000008 | RDKit |
