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563-80-4,MFCD00008919
Catalog No.:AA003753

563-80-4 | 3-Methyl-2-butanone

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Purity
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5g
99%
in stock  
$12.00   $8.00
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25g
99%
in stock  
$18.00   $12.00
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100g
99%
in stock  
$48.00   $33.00
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500g
99%
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$179.00   $125.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003753
Chemical Name:
3-Methyl-2-butanone
CAS Number:
563-80-4
Molecular Formula:
C5H10O
Molecular Weight:
86.1323
MDL Number:
MFCD00008919
SMILES:
CC(=O)C(C)C
NSC Number:
9379
UN Number:
2397
Properties
Properties
 
BP:
94.3°C  
Form:
Liquid  
MP:
−92 °C(lit.)  
Refractive Index:
n20/D 1.388(lit.)  
Solubility:
water: soluble8.21g/L at 20°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
55  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.8  

Literature

Title: Variability in the concentrations of volatile metabolites emitted by genotypically different strains of Pseudomonas aeruginosa.

Journal: Journal of applied microbiology 20120901

Title: Thermochemistry and bond dissociation energies of ketones.

Journal: The journal of physical chemistry. A 20120614

Title: Mixture toxicity of S(N)2-reactive soft electrophiles: 2-evaluation of mixtures containing ethyl α-halogenated acetates.

Journal: Archives of environmental contamination and toxicology 20111101

Title: Mixture toxicity of SN2-reactive soft electrophiles: 1. Evaluation of mixtures containing α-halogenated acetonitriles.

Journal: Archives of environmental contamination and toxicology 20101101

Title: Application of ion mobility spectrometry for the detection of human urine.

Journal: Analytical and bioanalytical chemistry 20101101

Title: Isolation and characterization of 4-tert-butylphenol-utilizing Sphingobium fuliginis strains from Phragmites australis rhizosphere sediment.

Journal: Applied and environmental microbiology 20101001

Title: New 3H-indole synthesis by Fischer's method. Part I.

Journal: Molecules (Basel, Switzerland) 20100408

Title: c-3,t-3-Dimethyl-r-2,c-6-diphenyl-piperidin-4-one.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: 3,3-Dimethyl-cis-2,6-di-p-tolyl-piperidin-4-one.

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: 3-Hydr-oxy-3-[(2-methyl-propano-yl)meth-yl]indolin-2-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: Asymmetric allylation of methyl ketones by using chiral phenyl carbinols.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20090615

Title: 1,3-Dimethyl-2,6-diphenyl-piperidin-4-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

Title: r-2,c-6-Bis(4-chloro-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: r-2,c-6-Bis(4-methoxy-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Rate constants for the reaction of cl with a series of C4 to C6 ketones using the relative rate method.

Journal: The journal of physical chemistry. A 20071025

Title: Time dependence in mixture toxicity with soft electrophiles: 1. Combined effects of selected SN2- and SNAr-reactive agents with a nonpolar narcotic.

Journal: Archives of environmental contamination and toxicology 20070401

Title: Degradation characteristics of methyl ethyl ketone by Pseudomonas sp. KT-3 in liquid culture and biofilter.

Journal: Chemosphere 20060401

Title: An efficient catalyst system for the asymmetric transfer hydrogenation of ketones: remarkably broad substrate scope.

Journal: Journal of the American Chemical Society 20060201

Title: Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions.

Journal: The Journal of organic chemistry 20051111

Title: Products and mechanism of the reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO.

Journal: Environmental science & technology 20041001

Title: Carbocationic rearrangement of pivaloyl cation and protonated pivalaldehyde in superacid medium: a novel solution equivalent of the McLafferty rearrangement.

Journal: Journal of the American Society for Mass Spectrometry 20040701

Title: An arylbenzofuran and four isoflavonoids from the roots of Erythrina poeppigiana.

Journal: Phytochemistry 20030701

Title: Volatile compounds of headspace gas in the Japanese fish sauce ishiru.

Journal: Bioscience, biotechnology, and biochemistry 20021001

Title: Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O.

Journal: Journal of agricultural and food chemistry 20020911

Title: Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O.

Journal: Journal of agricultural and food chemistry 20020313

Title: Acid-catalyzed isomerization of pivalaldehyde to methyl isopropyl ketone via a reactive protosolvated carboxonium ion intermediate.

Journal: Journal of the American Chemical Society 20011128

Title: Synthesis of ketonylplatinum(III) dinuclear complexes: observation of the competitive radical vs electrophilic displacement in Pt(III)-promoted C-H bond activation of ketones.

Journal: Journal of the American Chemical Society 20010131

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