2,2,6,6-Tetramethyl-3,5-heptanedione
SIAL/87851 - for GC derivatization, LiChropur™, ≥98.0%
Synonym: Dipivaloylmethane
CAS Number: 1118-71-4
Empirical Formula (Hill Notation): C11H20O2
Molecular Weight: 184.28
EC Number: 214-268-3
MDL Number: MFCD00008848
Linear Formula: (CH3)3CCOCH2COC(CH3)3
Product Type: Chemical
| assay | ≥98.0% |
| ≥98.0% (GC) | |
| bp | 72-73 °C/6 mmHg (lit.) |
| density | 0.883 g/mL at 25 °C (lit.) |
| form | liquid |
| grade | for GC derivatization |
| InChI | 1S/C11H20O2/c1-10(2,3)8(1 |
| InChI key | YRAJNWYBUCUFBD-UHFFFAOYSA |
| quality | LiChropur™ |
| Quality Level | 100  |
| reaction suitability | reagent type: derivatization reagent reaction type: Acylations |
| refractive index | n |
| n |
|
| SMILES string | CC(C)(C)C(=O)CC(=O)C(C)(C |
| General description: | Acylation, a replacement to silylation, allows the conversion of compounds that consist of active hydrogens (-OH, -SH and -NH) into esters, thioesters, and amides via the action of a carboxylic acid or derivative. The carbonyl group adjacent to the halogenated carbons is known to improve the electron capture detector (ECD) response. Acylation has several advantages: • It enhances the stability of compounds by protecting unstable groups. • It may confer volatility on substances like carbohydrates or amino acids, that have several polar groups that they are non-volatile and usually decompose on heating. • It facilitates the separations not possible with underivatized compounds. • Compounds are detectable at very low levels with an ECD. 2,2,6,6-Tetramethyl-3,5-h |
| Legal Information: | LiChropur is a trademark of Merck KGaA, Darmstadt, Germany |
| Recommended products: | Discover LiChropur™ reagents ideal for HPLC or LC-MS analysis |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| RIDADR | UN 1993 / PGIII |
| WGK Germany | WGK 1 |
| Purity | ≥98.0% (GC); ≥98.0% |
| bp | 72-73 °C/6 mmHg (lit.) |
| Density | 0.883 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12000000 |