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Coumarin chemical structure, C9H6O2, CAS 91-64-5
2D chemical structure

Key facts

What buyers check first

Appearance
Orthorhombic, rectangular plates
Melting point
71 °C
Boiling point
301.7 °C
Density
0.94 g/cm³
Flash point
150 °C
HS code
293220
Category
Synthetic aroma chemicals
UN number
UN 2811
Illustrative photo, closed blue fibre drums on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Coumarin?

Plain description, key identifiers and synonyms

Coumarin is a chromenone having the keto group located at the 2-position. It has a role as a fluorescent dye, a plant metabolite and a human metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
chromen-2-one
CAS number
91-64-5 CAS number cross-checkedOther or deprecated CAS: 103802-83-1
EC number
202-086-7
Molecular formula
C9H6O2
UNII
A4VZ22K1WT
MDL number
MFCD00006850
INCI name
COUMARIN
InChIKey
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C=CC(=O)O2

Synonyms

  • 2H-Chromen-2-one
  • 2H-1-Benzopyran-2-one
  • cumarin
  • 1,2-Benzopyrone
  • chromen-2-one
  • Tonka bean camphor
  • Rattex
  • Coumarinic anhydride
  • Coumarine
  • cis-o-Coumarinic acid lactone
  • Coumarinic lactone
  • o-Hydroxycinnamic acid lactone
  • Benzo-alpha-pyrone
  • 5,6-Benzo-2-pyrone
  • o-Hydroxycinnamic lactone
  • 2-Oxo-1,2-benzopyran
  • Kumarin
  • 2H-Benzo(b)pyran-2-one
  • 2H-1-Benzopyran, 2-oxo-
  • 5,6-Benzo-alpha-pyrone
  • Benzo-a-pyrone
  • o-Coumaric acid lactone
  • o-Hydroxyzimtsaure-lacton
  • Coumarinum
  • cis-o-Coumaric acid anhydride
Show all 35 synonyms
  • 2H-Benzo[b]pyran-2-one
  • 2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone
  • 2-oxo-2H-1-benzopyran
  • Cinnamic acid, o-hydroxy-, delta-lactone
  • Coumarin (prohibited)
  • o-hydroxycinnamic acid delta-lactone
  • Lodema
  • Coumarin Phenolic
  • Coumarin 1513
  • chromenone

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
Orthorhombic, rectangular platesexp.
Odour
Pleasant, fragrant odor resembling that of vanilla beans.exp.
Taste
Bitter undertone, nut-like flavor on dilutionexp.
Melting point
71 °Cexp.
Boiling point
301.7 °Cexp.
Density
0.94 g/cm³exp.
Flash point
150 °Cexp.
Solubility
In water, 1,900 mg/l @ 20 °Cexp.
Vapour pressure
VP: 1 mm Hg @ 106.0 °C, 40 mm Hg @ 189 °Cexp.

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
146.15 g/molcalc.
Exact mass
146.0368 Dacalc.
LogP (octanol/water)
1.79calc.
Topological polar surface area
30.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
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=c1ccc2ccccc2o1

O=c1ccc2ccccc2o1

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

3,845 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
  • H317May cause an allergic skin reaction.
Precautionary statements (14)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2811
Transport hazard class
6.1
Packing group
I

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

Coumarin suppliers

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All 152 suppliers
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Where suppliers are based

152 suppliers in 22 countries

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Coumarin 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

Formerly important as a flavor and perfume in foods and pharmaceuticals.

As deodorizing and odor enhancing agent in soaps, tobacco and rubber products.

Pharmaceutic aid (flavor).

Industrial uses: Plating agent, Other, Fragrance.

Consumer uses: Fragrance, Other.

Use classes: Cosmetics, Pharmaceuticals.

Cosmetic ingredient, INCI name COUMARIN(perfuming)

Roles

  • animal metabolite
  • dye
  • eukaryotic metabolite
  • fluorescent dye
  • human metabolite
  • mammalian metabolite
  • metabolite
  • plant metabolite

Functional uses

  • Brightener
  • Deodorizer
  • Dye
  • Flavouring and nutrient
  • Fragrance
  • Pigment
  • Processing aids not otherwise specified

Cosmetic functions

  • Perfuming

Pharmacology

Coumarin is o hydroxycinnamic acid. Pleasant smelling compound found in many plants and released on wilting. Has anticoagulant activity by competing with Vitamin K.

How it is made

Made synthetically by heating salicylic aldehyde, sodium acetate, and acetic acid anhydride.

From o-cresol and carbonyl chloride followed by chlorination of the carbonate and fusion with a mixture of alkali acetate, acetic anhydride, and a catalyst.

Synthesis from salicyladehyde by the Perkin reaction. In the presence of sodium acetate, salicylaldehyde reacts with acetic anhydride to produce coumarin and acetic acid. The reaction is carried out in the liquid phase at elevated temperatures.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory
  • EU Cosmetics Regulation Annex III, restricted in cosmetics
    Name: Coumarin, Ref no: 77, Annex ref: III/77
  • Active ingredient in FDA approved drug labels

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 Coumarin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Coumarin?

Coumarin is a chromenone having the keto group located at the 2-position. It has a role as a fluorescent dye, a plant metabolite and a human metabolite.

What is the CAS number of Coumarin?

The CAS registry number of Coumarin is 91-64-5. Other or deprecated CAS numbers: 103802-83-1.

What is the molecular formula and weight of Coumarin?

The molecular formula of Coumarin is C9H6O2 and its molar mass is 146.15 g/mol.

What is Coumarin used for?

Formerly important as a flavor and perfume in foods and pharmaceuticals. As deodorizing and odor enhancing agent in soaps, tobacco and rubber products. Pharmaceutic aid (flavor). Industrial uses: Plating agent, Other, Fragrance. Consumer uses: Fragrance, Other. Use classes: Cosmetics, Pharmaceuticals.

Is Coumarin hazardous?

Coumarin carries the GHS signal word "Danger". Main hazards: toxic if swallowed, harmful if swallowed, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Coumarin?

Coumarin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Coumarin?

CompoundList lists 152 suppliers of Coumarin in China, United States, India, Germany and 18 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Coumarin in India?

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

What is the price of Coumarin?

Suppliers quote Coumarin 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 Coumarin

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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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