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Retinol
CAS: 68-26-8 | C20H30O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
68-26-8
Molecular Formula:
C20H30O
Molecular Mass:
286.46 g/mol
Names and Synonyms:
Retinol
Retinol
Retinol, all-trans-
Acon
Afaxin
Agiolan
Alphalin
Alphasterol
Anatola
Anti-Infective vitamin
Antixerophthalmic vitamin
Anatola A
Apexol
Aquasynth
Aoral
Atav
Avibon
Avita
Avitol
Biosterol
Disatabs Tabs
Dofsol
Epiteliol
Hi-A-Vita
Lard Factor
Myvpack
2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-
Oleovitamin a
Ophthalamin
Prepalin
Testavol
Vaflol
Vi-Alpha
Vitamin A1
Vitamin A1 alcohol
Vitpex
Vogan
all-trans-Retinol
Vitamin A alcohol
all-trans-Vitamin A alcohol
Vitamin A alcohol, all-trans-
Vitamin A1 alcohol, all-trans-
Vitamin A1, all-trans-
Axerophthol
trans-Retinol
all-trans-Retinyl alcohol
Apostavit
Axerol
Dohyfral A
Nio-A-Let
Vitavel A
Vogan-Neu
trans-Vitamin A alcohol
β-Retinol
Vitamin A
Plivit A
A-Mulsal
Agoncal
Alcovit A
Veroftal
A-Vi-Pel
Bentavit A
all-trans-Vitamin A
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol
all-trans-Vitamin A1
Thalasphere
Cylasphere
Aquasol A Parenteral
A-Sol
Vi-Dom-A
A-Vitan
NSC 122759
Retinol 50C
Retinyl A
Tegosphere VitA
Tagravit R 1
Riken Dry A-S 200PT
Identifiers:
SMILES:
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
InChI:
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
Key Properties
Boiling Point
137-138 °C @ Press: 1 x 10-6 Torr
CAS Common Chemistry
Melting Point
62-64 °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 | 286.46 g/mol | CAS Common Chemistry |
| 286.45900000000006 g/mol | RDKit | |
| 286.22966558 g/mol | RDKit | |
| Boiling Point | 137-138 °C @ Press: 1 x 10-6 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ | CAS Common Chemistry |
| InChI Key | InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N | CAS Common Chemistry |
| Melting Point | 62-64 °C | CAS Common Chemistry |
| Name | Retinol | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.510300000000006 | RDKit |
| Molar Refractivity | 93.21180000000004 | RDKit |
