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Molecule
Retinyl Palmitate
CAS: 79-81-2 · C36H60O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 79-81-2
- Molecular Formula
- C36H60O2
- Molecular Mass
- 524.87 g/mol
Identifiers
CAS Registry Number
79-81-2
SMILES
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChI Key
VYGQUTWHTHXGQB-FFHKNEKCSA-N
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
Names and Synonyms
- Retinyl Palmitate Common Name
- Retinol, hexadecanoate Synonym
- Retinol, palmitate, all-trans- Synonym
- Retinol palmitate Synonym
- Arovit Synonym
- Dispatabs Tabs Synonym
- Myvak Synonym
- Myvax Synonym
- Testavol S Synonym
- Retinyl palmitate Synonym
- all-trans-Vitamin A palmitate Synonym
- Vitamin A palmitate Synonym
- Axerophthol palmitate Synonym
- Aquasol A Synonym
- Aquapalm Synonym
- all-trans-Retinol palmitate Synonym
- all-trans-Retinyl palmitate Synonym
- trans-Retinyl palmitate Synonym
- trans-Retinol palmitate Synonym
- Palmitic acid, ester with retinol Synonym
- Vitazyme A Synonym
- Arovit (Roche) Synonym
- Lutavit A 500 Plus Synonym
- Optovit A Synonym
- VAP 250CK-CWD Synonym
- VAP 250MS-CWD Synonym
- 250S/N Synonym
- 250S/N-B Synonym
- Riken A Palmitate 1000E Synonym
- Retiblan Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Retinol palmitate | CAS Common Chemistry |
| Molecular Mass | 524.87 g/mol | CAS Common Chemistry |
| 524.8740000000004 g/mol | RDKit | |
| 524.874 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Retinyl_palmitate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+ | CAS Common Chemistry |
| InChI Key | InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N | CAS Common Chemistry |
| Melting Point | 28-29 °C | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 11.542499999999986 | RDKit |
| 11.5425 | RDKit | |
| 11.38 | chempirical lib | |
| Molar Refractivity | 167.39699999999962 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6944 | RDKit |
| 0.69 | chempirical lib | |
| Exact Mass | 524.45933116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 524.87 g/mol. Edit any field — others recompute live.
