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Screening compounds

Tocol acetate

Also known as Tocol, acetate, 6-Chromanol, 2-methyl-2-(4,8,12-trimethyltridecyl)-, acetate, 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate

CAS 6199-76-4Formula C28H46O3Molar mass 430.67 g/mol
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Tocol acetate chemical structure, C28H46O3, CAS 6199-76-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6199-76-4
Formula
C28H46O3
Molar mass
430.67 g/mol
HS code
293299
Category
Screening compounds

What is Tocol acetate?

Plain description, key identifiers and synonyms

Tocol acetate is a chemical substance with the molecular formula C28H46O3 and a molar mass of 430.67 g/mol. Its CAS registry number is 6199-76-4. The IUPAC name is [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
CAS number
6199-76-4
Molecular formula
C28H46O3
UNII
37Z972M0N0
InChIKey
CBUJHSGSOYAVJD-UHFFFAOYSA-N
InChI
InChI=1S/C28H46O3/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-18-28(6)19-17-25-20-26(30-24(5)29)15-16-27(25)31-28/h15-16,20-23H,7-14,17-19H2,1-6H3
SMILES (canonical and isomeric)
CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)C)C

Synonyms

  • Tocol, acetate
  • 6-Chromanol, 2-methyl-2-(4,8,12-trimethyltridecyl)-, acetate
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2-methyl-2-(4,8,12-trimethyltridecyl)-, 6-acetate

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
430.67 g/molcalc.
Exact mass
430.3447 Dacalc.
LogP (octanol/water)
8.13calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
13calc.
Heavy atoms
31calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.75calc.
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.

Tocol acetate suppliers

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Tocol acetate price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Tocol acetate 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 Tocol acetate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tocol acetate, based on the data on this page

What is Tocol acetate?

Tocol acetate is a chemical substance with the molecular formula C28H46O3 and a molar mass of 430.67 g/mol. Its CAS registry number is 6199-76-4. The IUPAC name is [2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate.

What is the CAS number of Tocol acetate?

The CAS registry number of Tocol acetate is 6199-76-4.

What is the molecular formula and weight of Tocol acetate?

The molecular formula of Tocol acetate is C28H46O3 and its molar mass is 430.67 g/mol.

What is Tocol acetate used for?

Known uses and roles of Tocol acetate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Tocol acetate hazardous?

No GHS hazard classification for Tocol acetate 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 Tocol acetate?

Tocol acetate 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 Tocol acetate?

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

What is the price of Tocol acetate?

Suppliers quote Tocol acetate 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 Tocol acetate

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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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