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87851

2,2,6,6-Tetramethyl-3,5-heptanedione

LiChropur™, ≥98.0%

Synonym(s):

Dipivaloylmethane

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About This Item

Linear Formula:
(CH3)3CCOCH2COC(CH3)3
CAS Number:
1118-71-4
Molecular Weight:
184.28
EC Number:
214-268-3
UNSPSC Code:
12352200
PubChem Substance ID:
329769612
Beilstein/REAXYS Number:
1447269
MDL number:
MFCD00008848
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grade

derivatization grade ((GC derivatization))

Quality Segment

100

assay

≥98.0% (GC), ≥98.0%

form

liquid

quality

LiChropur™

reaction suitability

reagent type: derivatization reagent
reaction type: Acylations

refractive index

n20/D 1.456-1.462, n20/D 1.459 (lit.)

bp

72-73 °C/6 mmHg (lit.)

density

0.883 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)C(=O)CC(=O)C(C)(C)C

InChI

1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3

InChI key

YRAJNWYBUCUFBD-UHFFFAOYSA-N

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-heptanedione is a reagent used to form fragmentation-directing derivatives for GC/MS analysis.

Other Notes

Discover LiChropur™ reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

152.6 °F - closed cup

flash_point_c

67 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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