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β-Tocopherol

β-Tocopherol structure

β-Tocopherol 

structure
  • CAS No:

    148-03-8

  • Formula:

    C28H48O2

  • Chemical Name:

    β-Tocopherol

  • Synonyms:

    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;5,8-Dimethyltocol;Neotocopherol;β-Tocopherol;2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol;p-Xylotocopherol;dl-β-Tocopherol;DL-β-Tocopherol;16662-70-7

  • Categories:

    Natural Products  >  Phenols

Description

(2R)-2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol is a tocopherol.

β-Tocopherol Basic Attributes

416.67952

416.68

205-708-5

Characteristics

29.46000

11.44

0.9882 (rough estimate)

<25 °C

205 °C

-23 °C

1.4480 (estimate)

2-8°C

Safety Information

UN12083/PG2

3

11-38-48/20-51/53-62-67-65

36/37-61-62-16

F,Xn,N

P201-P210-P273-P301 + P310-P308 + P313-P331

H225-H304-H315-H336-H361f-H373-H411

β-Tocopherol Use and Manufacturing

Uses

One of the naturally occurring forms of Vitamin E. Is biologically less active than α-Tocopherol. This is the racemic mixture of all stereoisomers.

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-rel-: ACTIVE

Computed Properties

Molecular Weight:416.7
XLogP3:10.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:416.365430770
Monoisotopic Mass:416.365430770
Topological Polar Surface Area:29.5
Heavy Atom Count:30
Complexity:475
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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