Back to Search
Propylene Glycol Dioleate
CAS: 105-62-4 | C39H72O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
105-62-4
Molecular Formula:
C39H72O4
Molecular Mass:
605.00 g/mol
Names and Synonyms:
Propylene Glycol Dioleate
9-Octadecenoic acid (9Z)-, 1,1′-(1-methyl-1,2-ethanediyl) ester
Oleic acid, propylene ester
9-Octadecenoic acid (Z)-, 1-methyl-1,2-ethanediyl ester
9-Octadecenoic acid (9Z)-, 1-methyl-1,2-ethanediyl ester
1,2-Propanediol dioleate
1,2-Propylene glycol dioleate
1,2-Dioleoyloxypropane
Propylene glycol dioleate
Rikemal PO 200
Radia 7204
Cithrol PGDO
1-Methyl-1,2-ethanediyl dioleate
Priolube 1430
Emalex PG-di-O
Identifiers:
SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC/C=CCCCCCCCC
InChI:
InChI=1/C39H72O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,37H,4-17,22-36H2,1-3H3/b20-18-,21-19-
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 | 605.00 g/mol | CAS Common Chemistry |
| 605.001 g/mol | RDKit | |
| 604.5430607839999 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C)CCCCCCCC=CCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1/C39H72O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,37H,4-17,22-36H2,1-3H3/b20-18-,21-19- | CAS Common Chemistry |
| InChI Key | InChIKey=UMHYVXGZRGOICM-AUYXYSRINA-N | CAS Common Chemistry |
| Name | Propylene glycol dioleate | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 33 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 12.536299999999981 | RDKit |
| Molar Refractivity | 185.4169999999994 | RDKit |
