Back to Search
Glycerol 1-Monooleate
CAS: 111-03-5 | C21H40O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
111-03-5
Molecular Formula:
C21H40O4
Molecular Mass:
356.55 g/mol
Names and Synonyms:
Glycerol 1-Monooleate
9-Octadecenoic acid (9Z)-, 2,3-dihydroxypropyl ester
Olein, 1-mono-
9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester
Glycerol 1-monooleate
α-Monoolein
1-Monoolein
1-Oleylglycerol
1-Oleoylglycerol
1-Monooleoylglycerol
Glycerin 1-monooleate
Glycerol α-cis-9-octadecenate
Glycerol α-monooleate
1-Glyceryl oleate
Glyceryl monooleate
Glycerol 1-oleate
rac-1-Monooleoylglycerol
rac-1-Monoolein
1-Monooleoyl-rac-glycerol
Danisco MO 90
2,3-Dihydroxypropyl oleate
1-Mono(cis-9-octacenoyl)glycerol
Rylo MG 19
α-Glyceryl monooloeate
1-Oleoyl-rac-glycerol
Nofable GO 991
Glycerol 1-(9Z-octadecenoate)
1-Monooleoyl-rac-glycerol
GO 991
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OCC(O)CO
InChI:
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
Key Properties
Boiling Point
238-240 °C @ Press: 3-4 Torr
CAS Common Chemistry
Melting Point
35 °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 | 356.55 g/mol | CAS Common Chemistry |
| 356.547 g/mol | RDKit | |
| 356.29265975999994 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9407 g/cm3 @ Temp: 35 °C | CAS Common Chemistry | |
| Boiling Point | 238-240 °C @ Press: 3-4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(O)CO)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- | CAS Common Chemistry |
| InChI Key | InChIKey=RZRNAYUHWVFMIP-KTKRTIGZNA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Glycerol 1-monooleate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 18 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.76 Ų | RDKit |
| LogP | 4.920300000000006 | RDKit |
| Molar Refractivity | 103.50360000000006 | RDKit |
