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Heterocyclic compounds

beta-Tocotrienol

Also known as epsilon-Tocopherol, Tocotrienol, beta, (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol

CAS 490-23-3Formula C28H42O2Molar mass 410.64 g/molEC 207-708-0
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beta-Tocotrienol chemical structure, C28H42O2, CAS 490-23-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
490-23-3
Formula
C28H42O2
Molar mass
410.64 g/mol
EC number
207-708-0
HS code
293299
Category
Heterocyclic compounds

What is beta-Tocotrienol?

Plain description, key identifiers and synonyms

Beta-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat. It has a role as an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a vitamin E and a tocotrienol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
CAS number
490-23-3 CAS number cross-checked
EC number
207-708-0
Molecular formula
C28H42O2
UNII
CHH810ZM8C
InChIKey
FGYKUFVNYVMTAM-WAZJVIJMSA-N
InChI
InChI=1S/C28H42O2/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/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
Canonical SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2c(C)c(O)cc(C)c2O1
Isomeric SMILES
CC1=CC(=C(C2=C1O[C@](CC2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)O

Synonyms

  • epsilon-Tocopherol
  • Tocotrienol, beta
  • (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-((3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (2R)-
  • (2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol
  • 2H-1-benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-, (2R)-
  • 2R,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
  • (2R)-2,5,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl)-3,4-dihydrochromen-6-ol
  • (2R)-3,4-dihydro-2,5,8-trimethyl-2-((3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
  • 2R,5,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-chromen-6-ol
  • 2,5,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)-3,4-dihydro-2H-1-benzopyran-6-ol
  • D-beta-Tocotrienol
  • D-beta- Tocotrienol
  • (2R)-3,4-Dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-2H-1-benzopyran-6-ol
  • 3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyl-trideca-3,7,11-trienyl)-2H-1-benzopyran-6-ol
  • [R-(E,E)]-3,4-Dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol
  • 2,5,8-Trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol
  • epsilon-Tokoferol
  • (R)-2,5,8-Trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol
  • 5-Methyltocol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, (r-(E,E))-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-, [R-(E,E)]-
  • 5,8-Dimethyltocotrienol
  • Tocotrienol, 5,8-dimethyl
  • tridecatrienyl)-6-chroManol
Show all 29 synonyms
  • beta-Tocotrienol, analytical standard
  • (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol
  • 2,5,8-TriMethyl-2-(4,8,12-triMethyl-3,7,11-
  • (2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
410.64 g/molcalc.
Exact mass
410.3185 Dacalc.
LogP (octanol/water)
8.29calc.
Topological polar surface area
29.46 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
9calc.
Heavy atoms
30calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)CCCO2

c1ccc2c(c1)CCCO2

2 rings, 10 atoms, the Chroman ring system.

4,102 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

beta-Tocotrienol suppliers

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Where suppliers are based

6 suppliers in 2 countries

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beta-Tocotrienol price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • apoptosis inducer
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code beta-Tocotrienol is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for beta-Tocotrienol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about beta-Tocotrienol, based on the data on this page

What is beta-Tocotrienol?

Beta-tocotrienol is a tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat. It has a role as an antineoplastic agent, an apoptosis inducer and a plant metabolite.

What is the CAS number of beta-Tocotrienol?

The CAS registry number of beta-Tocotrienol is 490-23-3.

What is the molecular formula and weight of beta-Tocotrienol?

The molecular formula of beta-Tocotrienol is C28H42O2 and its molar mass is 410.64 g/mol.

What is beta-Tocotrienol used for?

Known uses and roles of beta-Tocotrienol include antineoplastic agent, apoptosis inducer, eukaryotic metabolite, metabolite, pharmaceutical and 1 more.

Is beta-Tocotrienol hazardous?

No GHS hazard classification for beta-Tocotrienol is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of beta-Tocotrienol?

beta-Tocotrienol is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy beta-Tocotrienol?

CompoundList lists 6 suppliers of beta-Tocotrienol in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of beta-Tocotrienol?

Suppliers quote beta-Tocotrienol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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