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Screening compounds

eta-Tocopherol

Also known as 7-Methyltocol, 3,4-dihydro-2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-ol, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-

CAS 91-86-1Formula C27H46O2Molar mass 402.66 g/mol
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eta-Tocopherol chemical structure, C27H46O2, CAS 91-86-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
91-86-1
Formula
C27H46O2
Molar mass
402.66 g/mol
HS code
293299
Category
Screening compounds

What is eta-Tocopherol?

Plain description, key identifiers and synonyms

η-tocopherol has been reported in Calendula officinalis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
CAS number
91-86-1 CAS number cross-checked
Molecular formula
C27H46O2
UNII
7NW19FA2G7
InChIKey
PZZKGQBMBVYPGR-UHFFFAOYSA-N
InChI
InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)23(5)18-26(24)29-27/h18-22,28H,7-17H2,1-6H3
SMILES (canonical and isomeric)
CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C=C1O

Synonyms

  • 7-Methyltocol
  • 3,4-dihydro-2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-ol
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-
  • eta-Tocopherol, (+-)-
  • 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol
  • eta-Tocopherol, (+/-)-
  • 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol
  • 2,7-dimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-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
402.66 g/molcalc.
Exact mass
402.3498 Dacalc.
LogP (octanol/water)
8.22calc.
Topological polar surface area
29.46 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
12calc.
Heavy atoms
29calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
3calc.
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.

eta-Tocopherol suppliers

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eta-Tocopherol price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code eta-Tocopherol 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 eta-Tocopherol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about eta-Tocopherol, based on the data on this page

What is eta-Tocopherol?

η-tocopherol has been reported in Calendula officinalis.

What is the CAS number of eta-Tocopherol?

The CAS registry number of eta-Tocopherol is 91-86-1.

What is the molecular formula and weight of eta-Tocopherol?

The molecular formula of eta-Tocopherol is C27H46O2 and its molar mass is 402.66 g/mol.

What is eta-Tocopherol used for?

Known uses and roles of eta-Tocopherol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is eta-Tocopherol hazardous?

No GHS hazard classification for eta-Tocopherol 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 eta-Tocopherol?

eta-Tocopherol 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 eta-Tocopherol?

Post a free request on CompoundList and suppliers of eta-Tocopherol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of eta-Tocopherol?

Suppliers quote eta-Tocopherol 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

Practical guides that help when you source, ship or handle eta-Tocopherol

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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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