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Molecule

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

Identifiers

CAS Registry Number

68-26-8

SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1

InChI Key

FPIPGXGPPPQFEQ-OVSJKPMPSA-N

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+

Names and Synonyms

  • Retinol Common Name
  • Retinol Synonym
  • Retinol, all-trans- Synonym
  • Acon Synonym
  • Afaxin Synonym
  • Agiolan Synonym
  • Alphalin Synonym
  • Alphasterol Synonym
  • Anatola Synonym
  • Anti-Infective vitamin Synonym
  • Antixerophthalmic vitamin Synonym
  • Anatola A Synonym
  • Apexol Synonym
  • Aquasynth Synonym
  • Aoral Synonym
  • Atav Synonym
  • Avibon Synonym
  • Avita Synonym
  • Avitol Synonym
  • Biosterol Synonym
  • Disatabs Tabs Synonym
  • Dofsol Synonym
  • Epiteliol Synonym
  • Hi-A-Vita Synonym
  • Lard Factor Synonym
  • Myvpack Synonym
  • 2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)- Synonym
  • Oleovitamin a Synonym
  • Ophthalamin Synonym
  • Prepalin Synonym
  • Testavol Synonym
  • Vaflol Synonym
  • Vi-Alpha Synonym
  • Vitamin A1 Synonym
  • Vitamin A1 alcohol Synonym
  • Vitpex Synonym
  • Vogan Synonym
  • all-trans-Retinol Synonym
  • Vitamin A alcohol Synonym
  • all-trans-Vitamin A alcohol Synonym
  • Vitamin A alcohol, all-trans- Synonym
  • Vitamin A1 alcohol, all-trans- Synonym
  • Vitamin A1, all-trans- Synonym
  • Axerophthol Synonym
  • trans-Retinol Synonym
  • all-trans-Retinyl alcohol Synonym
  • Apostavit Synonym
  • Axerol Synonym
  • Dohyfral A Synonym
  • Nio-A-Let Synonym
  • Vitavel A Synonym
  • Vogan-Neu Synonym
  • trans-Vitamin A alcohol Synonym
  • β-Retinol Synonym
  • Vitamin A Synonym
  • Plivit A Synonym
  • A-Mulsal Synonym
  • Agoncal Synonym
  • Alcovit A Synonym
  • Veroftal Synonym
  • A-Vi-Pel Synonym
  • Bentavit A Synonym
  • all-trans-Vitamin A Synonym
  • (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol Synonym
  • all-trans-Vitamin A1 Synonym
  • Thalasphere Synonym
  • Cylasphere Synonym
  • Aquasol A Parenteral Synonym
  • A-Sol Synonym
  • Vi-Dom-A Synonym
  • A-Vitan Synonym
  • NSC 122759 Synonym
  • Retinol 50C Synonym
  • Retinyl A Synonym
  • Tegosphere VitA Synonym
  • Tagravit R 1 Synonym
  • Riken Dry A-S 200PT Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 286.46 g/mol CAS Common Chemistry
286.45900000000006 g/mol RDKit
286.459 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
5.5103 RDKit
5.73 chempirical lib
Molar Refractivity 93.21180000000004 cm³/mol RDKit
Ring Count 1 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.5 RDKit
Exact Mass 286.22966558 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

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 = 286.46 g/mol. Edit any field — others recompute live.

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