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Substance Name: zeta1-Tocopherol
RN: 1721-51-3
UNII: 42UVL44LY7
InChIKey: RZFHLOLGZPDCHJ-KTWAZNHYSA-N

Classification Codes

  • Antioxidants
  • Protective Agents

Molecular Formula

  • C29-H44-O2

Molecular Weight

  • 424.665
 
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Names and Synonyms

Name of Substance

  • Tocotrienol, alpha
  • zeta1-Tocopherol

Synonyms

  • 5,7,8-Trimethyltocotrienol
  • alpha-Tocotrienol
  • dl-alpha-Tocotrienol
  • UNII-42UVL44LY7
  • xi1-Tocopherol
  • zeta1-Tocopherol
  • zeta1-Tokoferol

Systematic Names

  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrien-1-yl)-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-

Registry Numbers

CAS Registry Number

  • 1721-51-3

FDA UNII

  • 42UVL44LY7

Other Registry Numbers

  • 134931-98-9
  • 16833-60-6
  • 22625-13-4
  • 24960-03-0

System Generated Number

  • 0001721513

Structure Descriptors

InChI

InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+

InChIKey

RZFHLOLGZPDCHJ-KTWAZNHYSA-N

Smiles

CC(=CCC\C(=C\CC\C(=C\CCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1)\C)\C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 11.92 (none)   EST
Atmospheric OH Rate Constant 4.77E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.