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136875

Sigma-Aldrich

4,4-Dimethyl-2-pentanone

99%

Synonym(s):

Methyl neopentyl ketone

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About This Item

Linear Formula:
(CH3)3CCH2COCH3
CAS Number:
590-50-1
Molecular Weight:
114.19
EC Number:
209-685-2
MDL number:
MFCD00008854
UNSPSC Code:
12352100
PubChem Substance ID:
24848298
NACRES:
NA.22
Pricing and availability is not currently available.

assay

99%

refractive index

n20/D 1.404 (lit.)

bp

125-130 °C (lit.)

density

0.809 g/mL at 25 °C (lit.)

functional group

ketone

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

Related Categories

General description

4,4-Dimethyl-2-pentanone was used as starting reagent in the synthesis of 3,4,4,5-tetramethyl-3-hexanol[1]. It was used in the gas-phase reactions of OH radicals with 2,2,4-trimethylpentane[2].

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

66.2 °F - closed cup

flash_point_c

19 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN8740
SHBL1024
SHBH7743
12019BJ
57515PM

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Sigma-Aldrich

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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
Hydrocarbons. XI. Synthesis of Nineteen Decenes1.
Stehman CJ, et al.
Journal of the American Chemical Society, 72(9), 4163-4165 (1950)

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