Merck
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W526509

Sigma-Aldrich

Coumarin

≥98%

Synonym(s):
1,2-Benzopyrone, 1-Benzopyran-2-one, 2H-Chromen-2-one
Empirical Formula (Hill Notation):
C9H6O2
CAS Number:
Molecular Weight:
146.14
Beilstein:
383644
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

biological source

synthetic

grade

Halal

vapor pressure

0.01 mmHg ( 47 °C)

assay

≥98%

origin

China origin

bp

298 °C (lit.)

mp

68-73 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

herbaceous; sweet

SMILES string

O=C1Oc2ccccc2C=C1

InChI

1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

InChI key

ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

Related Categories

General description

Coumarin is an aroma compound responsible for the characteristic odor of hay. It is one of the major volatile compounds found in the aerial parts of bastard balm.

Application

It can be used an industrial odorant or odor masking agent.

Packaging

5, 10 kg in fiber drum
1 kg in poly bottle

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Skin Sens. 1

Storage Class Code

6.1D - Non-combustible, acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

WGK

WGK 1

Flash Point(F)

323.6 °F - closed cup

Flash Point(C)

162 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Coumarin
Boisde PM and Meuly WC
Kirk-Othmer Encyclopedia of Chemical Technology (2000)
Volatile components of whole and different plant parts of bastard balm (Melittis melissophyllum L., Lamiaceae) collected in Central Italy and Slovakia.
Maggi F, et al.
Chemistry and Biodiversity, 8(11), 2057-2079 (2011)
The pharmacology, metabolism, analysis, and applications of coumarin and coumarin-related compounds.
D Egan et al.
Drug metabolism reviews, 22(5), 503-529 (1990-01-01)
Shigehiro Sumiya et al.
The journal of physical chemistry. A, 117(7), 1474-1482 (2013-01-25)
A coumarin-amide-dipicolylamine linkage (L) was synthesized and used as a fluorescent receptor for metal cations in water. The receptor dissolved in water with neutral pH shows almost no fluorescence due to the photoinduced electron transfer (PET) from the amide and
Shota Morimoto et al.
Chemical communications (Cambridge, England), 49(18), 1811-1813 (2013-01-26)
A photo-switchable fluorescent flagging approach has been developed to identify photoaffinity-labeled peptides in target protein. Upon photochemical release of the ligand, the protein was newly modified with a coumarin in place of the previously attached biotin. It allowed us to

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