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Aliphatic and alicyclic building blocks

Tocoquinone-1

Also known as 2,3,5-Trimethyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione, 2,4-dione, 2,3,5-trimethyl-6-(3-methyl-2-butenyl)-, p-Benzoquinone,3,5-trimethyl-6-(3-methyl-2-butenyl)-

CAS 2134-78-3Formula C14H18O2Molar mass 218.30 g/mol
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Tocoquinone-1 chemical structure, C14H18O2, CAS 2134-78-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2134-78-3
Formula
C14H18O2
Molar mass
218.30 g/mol
HS code
291469
Category
Aliphatic and alicyclic building blocks

What is Tocoquinone-1?

Plain description, key identifiers and synonyms

Tocoquinone-1 is a chemical substance with the molecular formula C14H18O2 and a molar mass of 218.30 g/mol. Its CAS registry number is 2134-78-3. The IUPAC name is 2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
CAS number
2134-78-3 CAS number cross-checked
Molecular formula
C14H18O2
InChIKey
QKMDHZQFYAODOU-UHFFFAOYSA-N
InChI
InChI=1S/C14H18O2/c1-8(2)6-7-12-11(5)13(15)9(3)10(4)14(12)16/h6H,7H2,1-5H3
SMILES (canonical and isomeric)
CC1=C(C(=O)C(=C(C1=O)C)CC=C(C)C)C

Synonyms

  • 2,3,5-Trimethyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
  • 2,4-dione, 2,3,5-trimethyl-6-(3-methyl-2-butenyl)-
  • p-Benzoquinone,3,5-trimethyl-6-(3-methyl-2-butenyl)-
  • 2,3,6-trimethyl-5(3-methyl-2-butenyl)-1,4-benzoquinone
  • 2,3,5-trimethyl-6-(3-methyl-but-2-enyl)-[1,4]benzoquinone

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
218.30 g/molcalc.
Exact mass
218.1307 Dacalc.
LogP (octanol/water)
3.15calc.
Topological polar surface area
34.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)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, O=C1C=CC(=O)C=C1

O=C1C=CC(=O)C=C1

1 ring, 8 atoms, the Quinone ring system.

738 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.

Tocoquinone-1 suppliers

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Tocoquinone-1 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 Tocoquinone-1 is traded under.

HS 2914.69Indicative HS code

Quinones, other

World exports in 2024
$162M
−10.1% vs 2023, imports $157M
2019 to 2024
Top exporters
  1. China32.8%
  2. Netherlands29.3%
  3. Japan13.8%
Top importers
  1. United States23.0%
  2. India * partner reported16.1%
  3. Thailand7.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Tocoquinone-1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tocoquinone-1, based on the data on this page

What is Tocoquinone-1?

Tocoquinone-1 is a chemical substance with the molecular formula C14H18O2 and a molar mass of 218.30 g/mol. Its CAS registry number is 2134-78-3. The IUPAC name is 2,3,5-trimethyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione.

What is the CAS number of Tocoquinone-1?

The CAS registry number of Tocoquinone-1 is 2134-78-3.

What is the molecular formula and weight of Tocoquinone-1?

The molecular formula of Tocoquinone-1 is C14H18O2 and its molar mass is 218.30 g/mol.

What is Tocoquinone-1 used for?

Known uses and roles of Tocoquinone-1 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Tocoquinone-1 hazardous?

No GHS hazard classification for Tocoquinone-1 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 Tocoquinone-1?

Tocoquinone-1 is usually classified under HS code 291469 (Quinones, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tocoquinone-1?

Post a free request on CompoundList and suppliers of Tocoquinone-1 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Tocoquinone-1?

Suppliers quote Tocoquinone-1 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 Tocoquinone-1

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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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