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Chrysene chemical structure, C18H12, CAS 218-01-9
2D chemical structure

Key facts

What buyers check first

Appearance
Red blue fluorescent orthorhombic plates from benzene, acetic acid
Melting point
255 °C
Boiling point
448 °C
Density
1.274 g/cm³ at 20 °C
Solubility
In water, 2.0 × 10⁻³ mg/L at 25 °C
HS code
290290
Category
Hydrocarbons
UN number
UN 3077
Illustrative photo, red pigment powder in an open kraft paper sack in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Chrysene?

Plain description, key identifiers and synonyms

Chrysene is an ortho-fused polycyclic arene found commonly in the coal tar. It has a role as a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
chrysene
CAS number
218-01-9 CAS number cross-checkedOther or deprecated CAS: 65777-08-4
EC number
205-923-4
Molecular formula
C18H12
UNII
084HCM49PT
MDL number
MFCD00003698
InChIKey
WDECIBYCCFPHNR-UHFFFAOYSA-N
InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

Synonyms

  • Benzo[a]phenanthrene
  • 1,2-Benzophenanthrene
  • 1,2-Benzphenanthrene
  • 1,2,5,6-Dibenzonaphthalene
  • Benz(a)phenanthrene
  • Benzo(a)phenanthrene
  • Chrysen
  • Benz[a]phenanthrene
  • RCRA waste number U050
  • ChryseneNSC 6175
  • Chrysene, analytical standard
  • RCRA waste no. U050
  • Chrysene solution
  • Coal tar pitch volatiles: chrysene
  • Chrysene (Standard)
  • Chrysene, 95%
  • Chrysene, 98%
  • CHRYSENE (purity)
  • (4)Phenacene
  • 1,5,6-Dibenzonaphthalene
  • Chrysene 10 microg/mL in Cyclohexane
  • Chrysene 10 microg/mL in Acetonitrile
  • Chrysene 100 microg/mL in Acetonitrile
  • Chrysene, BCR(R) certified Reference Material
  • Chrysene, certified reference material, TraceCERT(R)
Show all 26 synonyms
  • 1,2-Benzophenanthrene, 1,2-Benzphenanthrene, Benzo[a]phenanthrene, NSC 6175, [4]Phenacene

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

Appearance
Red blue fluorescent orthorhombic plates from benzene, acetic acidexp.
Melting point
255 °Cexp.
Boiling point
448 °Cexp.
Density
1.274 g/cm³ at 20 °Cexp.
Solubility
In water, 2.0 × 10⁻³ mg/L at 25 °Cexp.
Vapour pressure
6.3 × 10⁻⁷ mm Hgexp.

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
228.29 g/molcalc.
Exact mass
228.0939 Dacalc.
LogP (octanol/water)
5.15calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
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, c1ccc2c(c1)ccc1c3ccccc3ccc21

c1ccc2c(c1)ccc1c3ccccc3ccc21

4 rings, 18 atoms. This chemical is the scaffold itself.

198 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H341Suspected of causing genetic defects.
  • H350May cause cancer.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
  • P203Obtain, read and follow all safety instructions before use.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3077
Transport hazard class
9
Packing group
III

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

Chrysene suppliers

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

All 46 suppliers
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Where suppliers are based

46 suppliers in 12 countries

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Chrysene 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

Organic synthesis.

Chrysene, alone, is not produced in the United States except as a laboratory research chemical ...

Substance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.00005%.

Industrial uses: Binder.

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Pharmacology

Chrysene is an aromatic hydrocarbon in coal tar, allied to naphthalene and anthracene. It is a white crystalline substance, C18H12, of strong blue fluorescence, but generally colored yellow by impurities.

How it is made

Synthesis by heating H2 and acetylene to 800 °C.

Distillation of coal tar.

Is formed during distillation of coal, in very small amount during distillation or pyrolysis of many fats and oils.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 601-048-00-0

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Chrysene, Ref no: 643, Annex ref: II/643

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 Chrysene is traded under.

HS 2902.90Indicative HS code

Cyclic hydrocarbons, other

World exports in 2024
$612M
−6.1% vs 2023, imports $670M
2019 to 2024
Top exporters
  1. China28.0%
  2. Germany13.9%
  3. India * partner reported12.6%
Top importers
  1. Germany11.1%
  2. United States10.6%
  3. South Korea8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Chrysene?

Chrysene is an ortho-fused polycyclic arene found commonly in the coal tar. It has a role as a plant metabolite.

What is the CAS number of Chrysene?

The CAS registry number of Chrysene is 218-01-9. Other or deprecated CAS numbers: 65777-08-4.

What is the molecular formula and weight of Chrysene?

The molecular formula of Chrysene is C18H12 and its molar mass is 228.29 g/mol.

What is Chrysene used for?

Organic synthesis. Chrysene, alone, is not produced in the United States except as a laboratory research chemical ... Substance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.00005%.

Is Chrysene hazardous?

Chrysene carries the GHS signal word "Danger". Main hazards: suspected of causing genetic defects, may cause cancer, very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Chrysene?

Chrysene is usually classified under HS code 290290 (Cyclic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chrysene?

CompoundList lists 46 suppliers of Chrysene in China, United States, Germany, India and 8 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Chrysene in India?

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

What is the price of Chrysene?

Suppliers quote Chrysene 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 Chrysene

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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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