93675

Denatonium benzoate

certified reference material, TraceCERT^®

• 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

Properties

• 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

Description

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

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H302,H318,H330
• Precautionary Statements: P260 - P264 - P280 - P301 + P312 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 2
• Flash Point(F): 212.0 °F - closed cup
• Flash Point(C): 100 °C - closed cup