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Molecule
Glycerol 1-Monooleate
CAS: 111-03-5 · C21H40O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 111-03-5
- Molecular Formula
- C21H40O4
- Molecular Mass
- 356.55 g/mol
Identifiers
CAS Registry Number
111-03-5
SMILES
CCCCCCCC/C=CCCCCCCCC(=O)OCC(O)CO
InChI Key
RZRNAYUHWVFMIP-KTKRTIGZNA-N
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-
Names and Synonyms
- Glycerol 1-Monooleate Common Name
- 9-Octadecenoic acid (9Z)-, 2,3-dihydroxypropyl ester Synonym
- Olein, 1-mono- Synonym
- 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester Synonym
- Glycerol 1-monooleate Synonym
- α-Monoolein Synonym
- 1-Monoolein Synonym
- 1-Oleylglycerol Synonym
- 1-Oleoylglycerol Synonym
- 1-Monooleoylglycerol Synonym
- Glycerin 1-monooleate Synonym
- Glycerol α-cis-9-octadecenate Synonym
- Glycerol α-monooleate Synonym
- 1-Glyceryl oleate Synonym
- Glyceryl monooleate Synonym
- Glycerol 1-oleate Synonym
- rac-1-Monooleoylglycerol Synonym
- rac-1-Monoolein Synonym
- 1-Monooleoyl-rac-glycerol Synonym
- Danisco MO 90 Synonym
- 2,3-Dihydroxypropyl oleate Synonym
- 1-Mono(cis-9-octacenoyl)glycerol Synonym
- Rylo MG 19 Synonym
- α-Glyceryl monooloeate Synonym
- 1-Oleoyl-rac-glycerol Synonym
- Nofable GO 991 Synonym
- Glycerol 1-(9Z-octadecenoate) Synonym
- 1-Monooleoyl-rac-glycerol Synonym
- GO 991 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 356.55 g/mol | CAS Common Chemistry |
| 356.547 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9407 g/cm3 @ 35 °C | 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 |
| 4.9203 | RDKit | |
| Molar Refractivity | 103.50360000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 356.29265975999994 g/mol | RDKit |
| Boiling Point | 238-240 °C @ 3-4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 356.55 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
