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01260595

Coumarin

primary reference standard

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
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329747235
EC Number:
202-086-7
Beilstein/REAXYS Number:
383644
MDL number:
MFCD00006850
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grade

primary reference standard

vapor pressure

0.01 mmHg ( 47 °C)

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

HWI

bp

298 °C (lit.)

mp

68-73 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

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

Produced and qualified by HWI pharma services GmbH.
Exact content by quantitative NMR can be found on the certificate.

Application

Reference standard in the analysis of herbal medicinal products

Other Notes

This compound is commonly found in plants of the genus: cinnamomum curcuma hedera humulus melissa mentha salvia sambucus zingiber

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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

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.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

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Certificates of Analysis (COA)

Lot/Batch Number

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Jack Cazes
Encyclopedia of Chromatography, 206-206 (2001)
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)
Musiliyu A Musa et al.
Current medicinal chemistry, 15(26), 2664-2679 (2008-11-11)
The coumarin (benzopyran-2-one, or chromen-2-one) ring system, present in natural products (such as the anticoagulant warfarin) that display interesting pharmacological properties, has intrigued chemists and medicinal chemists for decades to explore the natural coumarins or synthetic analogs for their applicability
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