Cas no 79-80-1 (3-Dehydro Retinol)

3-Dehydro Retinol structure
3-Dehydro Retinol structure
Product Name:3-Dehydro Retinol
CAS No:79-80-1
MF:C20H28O
MW:284.435726165771
CID:567296
PubChem ID:6436043
Update Time:2025-04-19

3-Dehydro Retinol Chemical and Physical Properties

Names and Identifiers

    • Retinol, 3,4-didehydro-
    • 3-Dehydro Retinol
    • (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-ol
    • 3,4-Dehydroretinol
    • 3,4-didehydroretinol
    • 3.4-Didehydro-[7t.9t.11t.13t]retinol
    • 3.4-Didehydro-all-trans-retinol
    • 3.7-Dimethyl-1t-(2.2.6-trimethyl-cyclohexadien-(4.6)-yl)-nonatetraen-(1.3t.5t.7t)-ol-(9)
    • 3-Dehydoretinol
    • all-trans-3,4-Didehydroretinol
    • Dehydroretinol
    • Vitamin A2
    • 3-DEHYDRORETINOL [WHO-DD]
    • Q24390934
    • RETINOL2
    • SCHEMBL15904
    • UNII-104621892X
    • VA2
    • 3-dehydroretinol
    • DEHYDRORETINOL. 3-
    • C21797
    • 104621892X
    • All-Trans-3,4-Didehydro Retinol
    • CHEMBL1797132
    • (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraen-1-ol
    • 79-80-1
    • all-trans-3-Dehydroretinol
    • EINECS 201-226-4
    • 3,4-Dehydroretinol;all-trans- 3-Dehydroretinol
    • LMPR01090008
    • DTXSID401018959
    • 3,4-didehydro-retinol
    • 3,4-Didehydro-all-trans-retinol
    • CHEBI:132246
    • 3-DEHYDRORETINOL [MI]
    • Inchi: 1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
    • InChI Key: XWCYDHJOKKGVHC-OVSJKPMPSA-N
    • SMILES: OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C=CCC1(C)C

Computed Properties

  • Exact Mass: 284.21400
  • Monoisotopic Mass: 284.214015512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 534
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 5.4
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Melting Point: 63-650C
  • Boiling Point: 425.6±14.0 °C at 760 mmHg
  • Flash Point: 151.3±16.4 °C
  • PSA: 20.23000
  • LogP: 5.28630
  • Vapor Pressure: 0.0±2.3 mmHg at 25°C

3-Dehydro Retinol Security Information

3-Dehydro Retinol Pricemore >>

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