136867
2,4-Dimethyl-3-pentanone
98%
Synonym(s):
Diisopropyl ketone, Isobutyrone
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All Photos(3)
About This Item
Linear Formula:
(CH3)2CHCOCH(CH3)2
CAS Number:
Molecular Weight:
114.19
Beilstein:
773782
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
Regulatory Information
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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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