Denatonium benzoate
SIAL/52487 - PESTANAL®, analytical standard
Synonym: N,N-Diethyl-N-
CAS Number: 3734-33-6
Empirical Formula (Hill Notation): C28H34N2O3
Molecular Weight: 446.58
EC Number: 223-095-2
MDL Number: MFCD00031578
Linear Formula: C21H29N2O · C7H5O2
Product Type: Chemical
application(s) | cleaning products cosmetics food and beverages personal care |
assay | ≥97.0% (HPLC) |
97.0-103.0% (NT) | |
format | neat |
grade | analytical standard |
InChI | 1S/C21H28N2O.C7H6O2/c1-5- |
InChI key | VWTINHYPRWEBQY-UHFFFAOYSA |
mp | 164-168 °C (lit.) |
product line | PESTANAL® |
Quality Level | 100 ![]() |
shelf life | limited shelf life, expiry date on the label |
SMILES string | [O-]C(=O)c1ccccc1.CC[N+]( |
Legal Information: | PESTANAL is a registered trademark of Sigma-Aldrich International GmbH |
Symbol | ![]() |
Signal word | Warning |
Hazard statements | H302 - H412 |
Precautionary statements | P264 - P270 - P273 - P301 + P312 - P501 |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 2 |
Flash Point(F) | 212.0 °F - closed cup |
Flash Point(C) | 100 °C - closed cup |
Purity | ≥97.0% (HPLC); 97.0-103.0% (NT) |
mp | 164-168 °C (lit.) |
UNSPSC | 12352200 |