Back to Search
Molecule
Retinyl Acetate
CAS: 127-47-9 · C22H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 127-47-9
- Molecular Formula
- C22H32O2
- Molecular Mass
- 328.50 g/mol
Identifiers
CAS Registry Number
127-47-9
SMILES
CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChI Key
QGNJRVVDBSJHIZ-QHLGVNSISA-N
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
Names and Synonyms
- Retinyl Acetate Synonym
- Retinol, acetate Synonym
- Retinol, acetate, all-trans- Synonym
- Myvak Synonym
- Myvax Synonym
- Retinyl acetate Synonym
- all-trans-Vitamin A acetate Synonym
- all-trans-Retinyl acetate Synonym
- Vitamin A acetate Synonym
- trans-Retinyl acetate Synonym
- Vitamin A1 acetate Synonym
- Arovit Synonym
- Ro 1-5275 Synonym
- all-trans-Retinol acetate Synonym
- trans-Retinol acetate Synonym
- NSC 122045 Synonym
- NSC 122760 Synonym
- Rovimix A 1000 Synonym
- Retinol acetate Synonym
- Dry Vitamin A Acetate 325CWS/A Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 328.50 g/mol | CAS Common Chemistry |
| 328.4960000000002 g/mol | RDKit | |
| 328.496 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Retinyl_acetate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+ | CAS Common Chemistry |
| InChI Key | InChIKey=QGNJRVVDBSJHIZ-QHLGVNSISA-N | CAS Common Chemistry |
| Melting Point | 57-58 °C | CAS Common Chemistry |
| Name | Retinol, acetate | CAS Common Chemistry |
| Retinyl acetate | CAS Common Chemistry | |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 6.081100000000006 | RDKit |
| 6.0811 | RDKit | |
| 5.92 | chempirical lib | |
| Molar Refractivity | 102.75900000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 328.240230264 g/mol | RDKit |
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
Convert
Quick conversion
MW = 328.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H32O2.
