β-Tocopherol

CAS Registry Number®

148-03-8
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CAS Name

β-Tocopherol

Molecular Formula

C28H48O2

Molecular Mass

416.68

Cite this Page

β-Tocopherol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=148-03-8 (retrieved 2024-04-20) (CAS RN: 148-03-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    205 °C

  • Melting Point (1)

    <25 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/s2

InChIKey

InChIKey=WGVKWNUPNGFDFJ-JMNLKBODNA-N

SMILES

CC1=C2C(CC[C@](CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)O2)=C(C)C(O)=C1

Canonical SMILES

OC=1C=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C

Other Names for this Substance

  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-
  • 6-Chromanol, 2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-, [2R*(4R*,8R*)]-
  • rel-(2R)-3,4-Dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
  • Cumotocopherol

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Deleted or Replaced CAS Registry Numbers

16662-70-7

CAS INSIGHTSTM
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