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Merck
CN

W526509

Coumarin

≥98%

Synonym(s):

1,2-Benzopyrone, 1-Benzopyran-2-one, 2H-Chromen-2-one

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About This Item

Empirical Formula (Hill Notation):
C9H6O2
CAS Number:
91-64-5
Molecular Weight:
146.14
EC Number:
202-086-7
UNSPSC Code:
12164502
PubChem Substance ID:
24902108
Beilstein/REAXYS Number:
383644
MDL number:
MFCD00006850
Organoleptic:
herbaceous; sweet
Grade:
Halal
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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InChI key

ZYGHJZDHTFUPRJ-UHFFFAOYSA-N

InChI

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

SMILES string

O=C1Oc2ccccc2C=C1

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

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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.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

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

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 1

flash_point_f

323.6 °F - closed cup

flash_point_c

162 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ2413
MKCD8233
MKCB6356
MKBX9839V
MKBV7168V

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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)
Coumarin
Boisde PM and Meuly WC
Kirk-Othmer Encyclopedia of Chemical Technology (2000)
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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