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Merck
CN

136867

2,4-Dimethyl-3-pentanone

98%

Synonym(s):

Diisopropyl ketone, Isobutyrone

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About This Item

Linear Formula:
(CH3)2CHCOCH(CH3)2
CAS Number:
565-80-0
Molecular Weight:
114.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848297
EC Number:
209-294-7
Beilstein/REAXYS Number:
773782
MDL number:
MFCD00008918
Assay:
98%
Form:
liquid

Key Documents

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Product Name

2,4-Dimethyl-3-pentanone, 98%

InChI key

HXVNBWAKAOHACI-UHFFFAOYSA-N

InChI

1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3

SMILES string

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

assay

98%

form

liquid

refractive index

n20/D 1.400 (lit.)

bp

124 °C (lit.)

mp

−80 °C (lit.)

density

0.806 g/mL at 25 °C (lit.)

functional group

ketone

Quality Level

100

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Application

2,4-Dimethyl-3-pentanone was used in an experimental method to measure the equilibrium isotopic fractionation factor (αeq ) for C-bound H positions adjacent to carbonyl group in ketones.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

hcodes

H225,H332

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

59.0 °F - closed cup

flash_point_c

15 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ4065
MKBW4288V
MKBB3537V
MKBB3537
07210KS

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Hydroboration of acyclic allenes with disiamylborane.
Sethi DS, et al.
Canadian Journal of Chemistry, 47(6), 1083-1086 (1969)
Equilibrium 2H/1H fractionations in organic molecules: I. Experimental calibration of ab initio calculations.
Wang Y, et al.
Geochimica et Cosmochimica Acta, 73(23), 7060-7075 (2009)
Yu Song et al.
The Journal of chemical physics, 142(22), 224306-224306 (2015-06-15)
Ultraviolet (UV) photodissociation dynamics of jet-cooled n-propyl (n-C3H7) radical via the 3s Rydberg state and i-propyl (i-C3H7) radical via the 3p Rydberg states are studied in the photolysis wavelength region of 230-260 nm using high-n Rydberg atom time-of-flight and resonance

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