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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
Names and Synonyms:
Retinyl Acetate
Retinol, acetate
Retinol, acetate, all-trans-
Myvak
Myvax
Retinyl acetate
all-trans-Vitamin A acetate
all-trans-Retinyl acetate
Vitamin A acetate
trans-Retinyl acetate
Vitamin A1 acetate
Arovit
Ro 1-5275
all-trans-Retinol acetate
trans-Retinol acetate
NSC 122045
NSC 122760
Rovimix A 1000
Retinol acetate
Dry Vitamin A Acetate 325CWS/A
Identifiers:
SMILES:
CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
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+
Key Properties
Melting Point
57-58 °C
CAS Common Chemistry
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 | 328.50 g/mol | CAS Common Chemistry |
| 328.4960000000002 g/mol | RDKit | |
| 328.240230264 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 |
| Molar Refractivity | 102.75900000000006 | RDKit |
