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136867

Sigma-Aldrich

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
Beilstein:
773782
EC Number:
209-294-7
MDL number:
MFCD00008918
UNSPSC Code:
12352100
PubChem Substance ID:
24848297
NACRES:
NA.22

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.)

SMILES string

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

InChI

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

InChI key

HXVNBWAKAOHACI-UHFFFAOYSA-N

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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

Signal Word

Danger

Hazard Statements

H225,H332

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

59.0 °F - closed cup

Flash Point(C)

15 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sethi DS, et al.
Canadian Journal of Chemistry, 47(6), 1083-1086 (1969)
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