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136875

4,4-Dimethyl-2-pentanone

Name: 4,4-Dimethyl-2-pentanone
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24848298

UNSPSC Code:

12352100

EC Number:

209-685-2

MDL number:

MFCD00008854

Assay:

99%

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Properties

Quality Level

100

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

Description

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.

pictograms

GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

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

Regulatory Information

危险化学品

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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)

Products and mechanism of the reaction of OH radicals with 2,2,4-trimethylpentane in the presence of NO.

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

Global Trade Item Number

SKU	GTIN
136875-5G	04061838731494
136875-25G	04061836682286