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Impurities and reference standards

Phytonadiol

Also known as Dihydrovitamin K1, Vitamin K1 hydroquinone, phyllohydroquinone

CAS 572-96-3Formula C31H48O2Molar mass 452.72 g/molEC 209-344-8
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Phytonadiol chemical structure, C31H48O2, CAS 572-96-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
572-96-3
Formula
C31H48O2
Molar mass
452.72 g/mol
EC number
209-344-8
HS code
290729
Category
Impurities and reference standards

What is Phytonadiol?

Plain description, key identifiers and synonyms

Phyllohydroquinone is a polyprenylhydroquinone and a naphthohydroquinone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
CAS number
572-96-3
EC number
209-344-8
Molecular formula
C31H48O2
UNII
O8GP21P496
InChIKey
BUFJIHPUGZHTHL-NKFFZRIASA-N
InChI
InChI=1S/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
Canonical SMILES
CC(=CCc1c(C)c(O)c2ccccc2c1O)CCCC(C)CCCC(C)CCCC(C)C
Isomeric SMILES
CC1=C(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O

Synonyms

  • Dihydrovitamin K1
  • Vitamin K1 hydroquinone
  • phyllohydroquinone
  • Phylloquinol
  • Dihydro Vitamin K1
  • Vitamin K hydroquinone
  • 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol
  • 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol
  • 2-Methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-diol
  • Dihydroxyvitamin K
  • Reduced Vitamin K
  • PQN
  • Reduced vitamin K1
  • Phyllodihydroquinone, 2TMS
  • Dihydro phylloquinone
  • Reduced phylloquinone
  • Vitamin K1 Impurity 122
  • Phylloquinone dihydro form
  • alpha-phyllohydroquinone
  • (R-(R*,R*-(E)))-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-diol
  • 2-methyl-3-phytyl-1,4-naphthoquinol
  • vitamin K hydroquinone (phylloquinone)
  • Phytonadiol, Vitamin K hydroquinone, vitamin K1 hydroquinone
  • 1,4-Naphthalenediol, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl)-
  • 2-Methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-diol (Vitamin Impurity

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
452.72 g/molcalc.
Exact mass
452.3654 Dacalc.
LogP (octanol/water)
9.49calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
14calc.
Heavy atoms
33calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
2calc.
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.

Phytonadiol suppliers

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Phytonadiol 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Phytonadiol?

Phyllohydroquinone is a polyprenylhydroquinone and a naphthohydroquinone.

What is the CAS number of Phytonadiol?

The CAS registry number of Phytonadiol is 572-96-3.

What is the molecular formula and weight of Phytonadiol?

The molecular formula of Phytonadiol is C31H48O2 and its molar mass is 452.72 g/mol.

Is Phytonadiol hazardous?

No GHS hazard classification for Phytonadiol 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 Phytonadiol?

Phytonadiol 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 Phytonadiol?

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What is the price of Phytonadiol?

Suppliers quote Phytonadiol 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 Phytonadiol

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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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