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About This Item
Linear Formula:
HOC6H3(OCH3)CO2H
CAS Number:
Molecular Weight:
168.15
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
204-466-8
Beilstein/REAXYS Number:
2208364
MDL number:
Quality Level
product line
TraceCERT®
grade
certified reference material, TraceCERT®
manufacturer/tradename
Manufactured by: Sigma-Aldrich Production GmbH, Switzerland
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
mp
208-210 °C (lit.)
application(s)
cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
format
neat
SMILES string
COc1cc(ccc1O)C(O)=O
InChI
1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI key
WKOLLVMJNQIZCI-UHFFFAOYSA-N
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.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Packaging
Bottomless glass bottle. Contents are inside inserted fused cone.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
This compound is commonly found in plants of the genus: angelica carum cinnamomum curcuma ginkgo humulus lycium melissa panax pimpinella thymus zingiber
Legal Information
TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany
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Storage Class
11 - Combustible Solids
wgk
WGK 1
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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Rafael Llorach et al.
Journal of proteome research, 8(11), 5060-5068 (2009-09-17)
Cocoa-phytochemicals have been related to the health-benefits of cocoa consumption. Metabolomics has been proposed as a powerful tool to characterize both the intake and the effects on the metabolism of dietary components. Human urine metabolome modifications after single cocoa intake
F A Muskiet et al.
Clinical chemistry, 25(7), 1281-1284 (1979-07-01)
We report quantitative data on beta-glucuronidase- and sulfatase-hydrolyzable conjugates of homovanillic acid, 3,4-dihydroxyphenylacetic acid, p-hydroxyphenylacetic acid, and vanillic acid in the urine of 20 apparently normal and healthy control persons and of three patients with neuroblastoma. We used organic solvent
B L Lee et al.
Clinical chemistry, 39(9), 1788-1792 (1993-09-01)
We describe a sensitive and specific high-performance liquid-chromatographic method for determining the benzene metabolite, trans,trans-muconic acid (ttMA) in urine by measuring ultraviolet absorbance at 265 nm. We mix 1 mL of urine sample with 2 mL of Tris buffer containing