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93675

Supelco

Denatonium benzoate

certified reference material, TraceCERT®

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Synonym(s):
N,N-Diethyl-N-[(2,6-dimethylphenyl­carbamoyl)­methyl]­benzyl­ammonium benzoate, Benzyldiethyl(2,6-xylyl­carbamoyl­methyl)­ammonium benzoate, THS 839
Linear Formula:
C21H29N2O · C7H5O2
CAS Number:
3734-33-6
Molecular Weight:
446.58
Beilstein:
8179408
EC Number:
223-095-2
MDL number:
MFCD00031578
UNSPSC Code:
12352200

grade

certified reference material
TraceCERT®

Quality Level

300

product line

TraceCERT®

shelf life

limited shelf life, expiry date on the label

technique(s)

gas chromatography (GC): suitable

mp

164-168 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

SMILES string

[O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc2c(C)cccc2C)Cc3ccccc3

InChI

1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)

InChI key

VWTINHYPRWEBQY-UHFFFAOYSA-N

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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.

Legal Information

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

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H302,H318,H330

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1

WGK

WGK 2

Flash Point(F)

212.0 °F

Flash Point(C)

100 °C

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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