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Impurities and reference standards

Phylloquinone oxide

Also known as Vitamin K1 2,3-epoxide, Vitamin K1 oxide, Phylloquinone epoxide

CAS 25486-55-9Formula C31H46O3Molar mass 466.71 g/molEC 247-022-9
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Phylloquinone oxide chemical structure, C31H46O3, CAS 25486-55-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
25486-55-9
Formula
C31H46O3
Molar mass
466.71 g/mol
EC number
247-022-9
HS code
291439
Category
Impurities and reference standards

What is Phylloquinone oxide?

Plain description, key identifiers and synonyms

Phylloquinone oxide is a chemical substance with the molecular formula C31H46O3 and a molar mass of 466.71 g/mol. Its CAS registry number is 25486-55-9. The IUPAC name is 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
CAS number
25486-55-9 CAS number cross-checked
EC number
247-022-9
Molecular formula
C31H46O3
MDL number
MFCD00870307
INCI name
PHYTONADIONE EPOXIDE
InChIKey
KUTXFBIHPWIDJQ-LKUDQCMESA-N
InChI
InChI=1S/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
Canonical SMILES
CC(=CCC12OC1(C)C(=O)c1ccccc1C2=O)CCCC(C)CCCC(C)CCCC(C)C
Isomeric SMILES
CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)/C

Synonyms

  • Vitamin K1 2,3-epoxide
  • Vitamin K1 oxide
  • Phylloquinone epoxide
  • (2,3-Epoxyphytyl)menaquinone
  • 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
  • trans-Epoxyphytomenadione
  • Phylloquinone 2,3-epoxide
  • Phylloquinone-2,3-epoxide
  • Vitamin K1 epoxide
  • Vitamin K1, epoxide
  • Vitamin K1 2,3-Epoxide (Mixture of Diastereomers)
  • 1a-Methyl-7a-[(2Z)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1aH,2H,7H,7aH-naphtho[2,3-b]oxirene-2,7-dione
  • 2,3-Epoxide Vitamin K1 (Mixture of Diastereomers)
  • Vitamin K1 Impurity 126
  • 1,4-Naphthoquinone, 2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-
  • 1a,7a-Dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-naphth[2,3-b]oxirene-2,7-dione
  • Vitamin K1 2,3-epoxide, >=98.0% (HPLC)
  • (E)-1a-methyl-7a-(3,7,11,15-tetramethylhexadec-2-en-1-yl)-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
  • 1a-Methyl-7a-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
  • 1a-Methyl-7a-[3,7,11,15-tetramethyl-2-hexadecenyl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione #
  • Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-

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
466.71 g/molcalc.
Exact mass
466.3447 Dacalc.
LogP (octanol/water)
8.37calc.
Topological polar surface area
46.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
14calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
4calc.
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, O=C1c2ccccc2C(=O)C2OC12

O=C1c2ccccc2C(=O)C2OC12

3 rings, 13 atoms, the 2,3-Epoxy-2,3-dihydro-1,4-naphthoquinone ring system.

17 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.

Phylloquinone oxide suppliers

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Phylloquinone oxide 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

Cosmetic ingredient, INCI name PHYTONADIONE EPOXIDE(astringent, skin protecting)

Functional uses

  • Astringent

Cosmetic functions

  • Astringent
  • Skin protecting

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Phylloquinone oxide is traded under.

HS 2914.39Indicative HS code

Aromatic ketones without other oxygen function, other

World exports in 2024
$207M
−12.1% vs 2023, imports $191M
2019 to 2024
Top exporters
  1. China61.4%
  2. India * partner reported12.4%
  3. Italy7.6%
Top importers
  1. India * partner reported11.9%
  2. Germany9.9%
  3. United States8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Phylloquinone oxide, based on the data on this page

What is Phylloquinone oxide?

Phylloquinone oxide is a chemical substance with the molecular formula C31H46O3 and a molar mass of 466.71 g/mol. Its CAS registry number is 25486-55-9. The IUPAC name is 7a-methyl-1a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione.

What is the CAS number of Phylloquinone oxide?

The CAS registry number of Phylloquinone oxide is 25486-55-9.

What is the molecular formula and weight of Phylloquinone oxide?

The molecular formula of Phylloquinone oxide is C31H46O3 and its molar mass is 466.71 g/mol.

What is Phylloquinone oxide used for?

Known uses and roles of Phylloquinone oxide include skin conditioning agents in cosmetics and personal care, astringent and skin protecting.

Is Phylloquinone oxide hazardous?

No GHS hazard classification for Phylloquinone oxide 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 Phylloquinone oxide?

Phylloquinone oxide is usually classified under HS code 291439 (Aromatic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phylloquinone oxide?

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

What is the price of Phylloquinone oxide?

Suppliers quote Phylloquinone oxide 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 Phylloquinone oxide

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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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