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Merck

72609

Coumarin

certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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:
41116107
NACRES:
NA.24
PubChem Substance ID:
329764209
EC Number:
202-086-7
Beilstein/REAXYS Number:
383644
MDL number:
MFCD00006850

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

grade

certified reference material, TraceCERT®

vapor pressure

0.01 mmHg ( 47 °C)

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

298 °C (lit.)

mp

68-73 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

300

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Other Notes

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

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

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

72609-VAR: + 72609-100MG: + 72609-BULK:

jan

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
Klaus Abraham et al.
Molecular nutrition & food research, 54(2), 228-239 (2009-12-22)
Coumarin is a secondary phytochemical with hepatotoxic and carcinogenic properties. For the carcinogenic effect, a genotoxic mechanism was considered possible, but was discounted by the European Food Safety Authority in 2004 based on new evidence. This allowed the derivation of
Sukhendu Maiti et al.
Journal of the American Chemical Society, 135(11), 4567-4572 (2013-03-07)
We present here, the design, synthesis, spectroscopic characterization, and in vitro biological assessment of a gemcitabine-coumarin-biotin conjugate (5). Probe 5 is a multifunctional molecule composed of a thiol-specific cleavable disulfide bond, a coumarin moiety as a fluorescent reporter, gemcitabine (GMC)
Kamilia M Amin et al.
European journal of medicinal chemistry, 60, 187-198 (2013-01-08)
Two groups of coumarin-pyrazoline hybrids were synthesized. The target compounds were obtained by cyclization of the coumarin chalcones with various substituted hydrazines to produce the corresponding pyrazolines through 1,4-addition on α,β-unsaturated carbonyl system. Selected compounds were investigated for their anticancer
A ratiometric fluorescent probe for rapid detection of hydrogen sulfide in mitochondria.
Yuncong Chen et al.
Angewandte Chemie (International ed. in English), 52(6), 1688-1691 (2013-01-05)
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