136875
4,4-Dimethyl-2-pentanone
99%
Synonym(s):
Methyl neopentyl ketone
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About This Item
Linear Formula:
(CH3)3CCH2COCH3
CAS Number:
Molecular Weight:
114.19
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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assay
99%
refractive index
n20/D 1.404 (lit.)
bp
125-130 °C (lit.)
density
0.809 g/mL at 25 °C (lit.)
SMILES string
CC(=O)CC(C)(C)C
InChI
1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
InChI key
AZASWMGVGQEVCS-UHFFFAOYSA-N
General description
4,4-Dimethyl-2-pentanone was used as starting reagent in the synthesis of 3,4,4,5-tetramethyl-3-hexanol. It was used in the gas-phase reactions of OH radicals with 2,2,4-trimethylpentane.
Certificates of Analysis (COA)
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Hydrocarbons. XI. Synthesis of Nineteen Decenes1.
Stehman CJ, et al.
Journal of the American Chemical Society, 72(9), 4163-4165 (1950)
Sara M Aschmann et al.
Environmental science & technology, 36(4), 625-632 (2002-03-07)
Alkanes are important constituents of gasoline fuel and vehicle exhaust, with branched alkanes comprising a significant fraction of the total alkanes observed in urban areas. Products of the gas-phase reactions of OH radicals with 2,2,4-trimethylpentane and 2,2,4-trimethylpentane-d18 in the presence
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