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Screening compounds

Menaquinol

Also known as 2-(3,7-Dimethylocta-2,6-dien-1-yl)-3-methylnaphthalene-1,4-diol, (E)-2-(3,7-Dimethylocta-2,6-dien-1-yl)-3-methylnaphthalene-1,4-diol

CAS 859453-01-3Formula C21H26O2Molar mass 310.44 g/mol
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Menaquinol chemical structure, C21H26O2, CAS 859453-01-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
859453-01-3
Formula
C21H26O2
Molar mass
310.44 g/mol
HS code
290729
Category
Screening compounds

What is Menaquinol?

Plain description, key identifiers and synonyms

Menaquinol is a chemical substance with the molecular formula C21H26O2 and a molar mass of 310.44 g/mol. Its CAS registry number is 859453-01-3. The IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylnaphthalene-1,4-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylnaphthalene-1,4-diol
CAS number
859453-01-3Other or deprecated CAS: 53772-36-4
Molecular formula
C21H26O2
InChIKey
CZHYZLLLSCZMRL-NTCAYCPXSA-N
InChI
InChI=1S/C21H26O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12,22-23H,7,9,13H2,1-4H3/b15-12+
Canonical SMILES
CC(C)=CCCC(C)=CCc1c(C)c(O)c2ccccc2c1O
Isomeric SMILES
CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC=C(C)C)O)O

Synonyms

  • 2-(3,7-Dimethylocta-2,6-dien-1-yl)-3-methylnaphthalene-1,4-diol
  • (E)-2-(3,7-Dimethylocta-2,6-dien-1-yl)-3-methylnaphthalene-1,4-diol

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
310.44 g/molcalc.
Exact mass
310.1933 Dacalc.
LogP (octanol/water)
5.79calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
23calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccc2ccccc2c1

c1ccc2ccccc2c1

2 rings, 10 atoms, the Naphthalene ring system.

17,920 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.

Menaquinol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Menaquinol 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 Menaquinol is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Menaquinol, based on the data on this page

What is Menaquinol?

Menaquinol is a chemical substance with the molecular formula C21H26O2 and a molar mass of 310.44 g/mol. Its CAS registry number is 859453-01-3. The IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylnaphthalene-1,4-diol.

What is the CAS number of Menaquinol?

The CAS registry number of Menaquinol is 859453-01-3. Other or deprecated CAS numbers: 53772-36-4.

What is the molecular formula and weight of Menaquinol?

The molecular formula of Menaquinol is C21H26O2 and its molar mass is 310.44 g/mol.

What is Menaquinol used for?

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

Is Menaquinol hazardous?

No GHS hazard classification for Menaquinol 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 Menaquinol?

Menaquinol is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Menaquinol?

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

What is the price of Menaquinol?

Suppliers quote Menaquinol 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 Menaquinol

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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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