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Skin conditioning agents and actives

Xanthine

Also known as 2,6-Dihydroxypurine, 2,6-dioxopurine, Xanthin

CAS 69-89-6Formula C5H4N4O2Molar mass 152.11 g/molEC 200-718-6
GHS signal word: Warning. Pictograms: Harmful or irritant 99 suppliers listed
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Xanthine chemical structure, C5H4N4O2, CAS 69-89-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
69-89-6
Formula
C5H4N4O2
Molar mass
152.11 g/mol
EC number
200-718-6
HS code
293359
Category
Skin conditioning agents and actives

What is Xanthine?

Plain description, key identifiers and synonyms

9H-xanthine is an oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. It has a role as a Saccharomyces cerevisiae metabolite. It is a tautomer of a 7H-xanthine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,7-dihydropurine-2,6-dione
CAS number
69-89-6 CAS number cross-checked
EC number
200-718-6
Molecular formula
C5H4N4O2
UNII
1AVZ07U9S7
MDL number
MFCD00078453
INCI name
XANTHINE
InChIKey
LRFVTYWOQMYALW-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
SMILES (canonical and isomeric)
C1=NC2=C(N1)C(=O)NC(=O)N2

Synonyms

  • 2,6-Dihydroxypurine
  • 2,6-dioxopurine
  • Xanthin
  • Isoxanthine
  • Xanthic oxide
  • 1H-Purine-2,6-diol
  • Pseudoxanthine
  • 9H-Purine-2,6-diol
  • 3,7-Dihydro-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,7-dihydro-
  • Purine-2,6-diol
  • 3,7-dihydropurine-2,6-dione
  • 2,6(1,3)-Purinedion
  • 3,9-dihydro-1H-purine-2,6-dione
  • 2,6-Dioxo-1,2,3,6-tetrahydropurine
  • 1H-Purine-2,6-dione, 3,9-dihydro-
  • 9H-Purine-2,6-(1H,3H)-dione
  • Purine-2,6(1H,3H)-dione
  • 9H-Purine-2,6(1H,3H)-dione
  • 2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1H-Purine-2,6(3H,7H)-dione
  • XAN
  • USAF CB-17
  • 9H-xanthine
  • Purine-2(3H),6(1H)-dione
Show all 38 synonyms
  • Purine-2,6-(1H,3H)-dione
  • 3,9-dihydropurine-2,6-dione
  • 2,3,6,9-tetrahydro-1H-purine-2,6-dione
  • purine, 2,6-dihydroxy-
  • 1,3-dihydropurine-2,6-dione
  • Xanthine (VAN)
  • 7H-purine-2,6-diol
  • Dioxopurine
  • Dioxypurin
  • 7H-xanthine
  • 2-Oxohypoxanthine
  • 2,6-dioxypurine
  • 2,6-Dihydroxypurin

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
152.11 g/molcalc.
Exact mass
152.0334 Dacalc.
LogP (octanol/water)
-1.06calc.
Topological polar surface area
94.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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=c1[nH]c(=O)c2[nH]cnc2[nH]1

O=c1[nH]c(=O)c2[nH]cnc2[nH]1

2 rings, 11 atoms. This chemical is the scaffold itself.

1,880 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H317May cause an allergic skin reaction.
  • H319Causes serious eye irritation.
Precautionary statements (11)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Xanthine suppliers

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

All 99 suppliers
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

99 suppliers in 16 countries

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Xanthine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Use classes: Cosmetics.

Cosmetic ingredient, INCI name XANTHINE(skin conditioning)

Roles

  • Saccharomyces cerevisiae metabolite
  • eukaryotic metabolite
  • fundamental metabolite
  • fungal metabolite
  • metabolite

Functional uses

  • Softener and conditioner

Cosmetic functions

  • Skin conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Xanthine?

9H-xanthine is an oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. It has a role as a Saccharomyces cerevisiae metabolite. It is a tautomer of a 7H-xanthine.

What is the CAS number of Xanthine?

The CAS registry number of Xanthine is 69-89-6.

What is the molecular formula and weight of Xanthine?

The molecular formula of Xanthine is C5H4N4O2 and its molar mass is 152.11 g/mol.

What is Xanthine used for?

Use classes: Cosmetics.

Is Xanthine hazardous?

Xanthine carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Xanthine?

Xanthine is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Xanthine?

CompoundList lists 99 suppliers of Xanthine in China, United States, Germany, United Kingdom and 12 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Xanthine in India?

2 suppliers in India list Xanthine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Xanthine?

Suppliers quote Xanthine 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 Xanthine

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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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