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Safety Information

W526509

Sigma-Aldrich

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
Beilstein:
383644
EC Number:
202-086-7
MDL number:
MFCD00006850
UNSPSC Code:
12164502
PubChem Substance ID:
24902108
grade:
Halal
biological source:
synthetic
food allergen:
no known allergens

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

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

Signal Word

Danger

Hazard Statements

H301 + H311,H317

Hazard Classifications

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

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

W526509-SAMPLE:
W526509-BULK:
W526509-1KG:
W526509-5KG:
W526509-VAR:
W526509-10KG:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ2413
MKCD8233
MKCB6356
MKBX9839V
MKBV7168V

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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)
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
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
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