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Molecule
Ascorbyl Palmitate
CAS: 137-66-6 · C22H38O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 137-66-6
- Molecular Formula
- C22H38O7
- Molecular Mass
- 414.54 g/mol
Identifiers
CAS Registry Number
137-66-6
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChI Key
QAQJMLQRFWZOBN-LAUBAEHRSA-N
InChI
InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
Names and Synonyms
- Ascorbyl Palmitate Common Name
- E 304 Synonym
- Vcpal Synonym
- Grindox 562 Synonym
- AP Synonym
- L-Ascorbic acid, 6-hexadecanoate Synonym
- L-Ascorbic acid, 6-palmitate Synonym
- Palmitic acid, 6-ester with ascorbic acid Synonym
- Palmitoyl L-ascorbic acid Synonym
- Ascorbyl palmitate Synonym
- Ascorbylpalmitic acid Synonym
- L-Ascorbyl palmitate Synonym
- Ascorbyl monopalmitate Synonym
- 6-Monopalmitoyl-L-ascorbate Synonym
- Ascorbic palmitate Synonym
- 6-O-Palmitoylascorbic acid Synonym
- 6-Palmitoylascorbic acid Synonym
- Ascorbic acid palmitate Synonym
- Cetyl ascorbate Synonym
- Ondascora Synonym
- Quicifal Synonym
- L-Ascorbyl 6-palmitate Synonym
- 6-Hexadecanoyl-L-ascorbic acid Synonym
- L-Ascorbyl monopalmitate Synonym
- Ascorbyl 6-palmitate Synonym
- Ascorboyl palmitate Synonym
- Ascorbic acid 6-palmitate Synonym
- 6-Palmitate-L-ascorbic acid Synonym
- 6-O-Palmitoyl-L-ascorbic acid Synonym
- 6-O-Palmitoyl-L-ascorbic acid Synonym
- NSC 402451 Synonym
- VCP 10 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 414.54 g/mol | CAS Common Chemistry |
| 414.5390000000001 g/mol | RDKit | |
| 414.539 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ascorbyl_palmitate | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(C(O)=C1O)C(O)COC(=O)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QAQJMLQRFWZOBN-LAUBAEHRSA-N | CAS Common Chemistry |
| Melting Point | 116 °C | CAS Common Chemistry |
| Name | Ascorbyl palmitate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 113.29000000000002 Ų | RDKit |
| 113.29 Ų | RDKit | |
| LogP | 4.624800000000002 | RDKit |
| 4.6248 | RDKit | |
| Molar Refractivity | 109.44140000000009 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 414.26175355599986 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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140
120
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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.
External Resources
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MW = 414.54 g/mol. Edit any field — others recompute live.
