Home Other Building Blocks 111-13-7
111-13-7,MFCD00009540
Catalog No.:AA003HQV
111-13-7 | 2-Octanone
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97%
in stock  
$26.00   $18.00
- +
25g
97%
in stock  
$39.00   $27.00
- +
100g
99%(GC)
in stock  
$108.00   $75.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HQV
Chemical Name:
2-Octanone
CAS Number:
111-13-7
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00009540
IUPAC Name:
octan-2-one
InChI:
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChI Key:
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C
EC Number:
203-837-1
UNII:
J2G84H29AF
FEMA Number:
2802
Properties
Computed Properties
 
Complexity:
76.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
2-octanone 
Octan-2-one 
2-Octanone (natural) 
FEMA Number 2802 
UNII-J2G84H29AF 
FEMA No. 2802 
HSDB 5545 
NSC 3712 
EINECS 203-837-1 
BRN 0635843 
CHEMBL18549 
AI3-05617 
2-OCTANONE 
J2G84H29AF 
CHEBI:87434 
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N 
MFCD00009540 
2-Octanone, 99+% 
2-octanon 
sec-Octanone 
octanone-2 
2- octanone 
Metyhl Hexyl Ketone 
111-13-7 
ACMC-1BZO5 
AC1L1Q8Z 
AC1Q2VT2 
AC1Q5CI1 
n-C6H13COCH3 
SCHEMBL43776 
4-01-00-03339 (Beilstein Handbook Reference) 
KSC176M5B 
METHYL HEXYL KETONE FCC 
2-Octanone, analytical standard 
n-Hexyl methyl ketone 
Jsp000838 
2-Octanone, >=98%, FG 
DTXSID4021927 
CTK0H6650 
FEMA 2802 
KS-00000VHL 
NSC3712 
NSC5936 
2-Octanone, natural, 98%, FG 
2-Octanone, reagent grade, 98% 
Hexyl methyl ketone 
NSC-3712 
NSC-5936 
ZINC1672808 
ANW-16240 
BBL011429 
BDBM50028815 
LMFA12000054 
SBB060387 
STL146536 
AKOS005720775 
Methyl hexyl ketone 
LS-2999 
MCULE-1152821440 
NE10661 
RP19810 
RTR-002225 
TRA0044944 
AJ-29261 
AN-22644 
CJ-06140 
CJ-27197 
Methyl n-hexyl ketone 
DA-16705 
I854 
TR-002225 
FT-0613243 
O0038 
ST24031492 
ST51046577 
EN300-20060 
A802298 
I14-5856 
Octanone 
J-002527 
InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H 
2-octanona 
Mthyl hexyl ctone 
Octanone, 2- 
octan - 2 - one 
C8H16O 
2-octanone(Methyl Hexyl Ketone) 
CID8093 
ACN-S002377 
2-Oxooctane 
C8-H16-O 
AR-1E4499 
ZINC01672808 
2-Octanone, 99% - 100ML 100ml 
C037075 
27457-18-7 
28226-01-9 
Literature

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Journal: International journal of food sciences and nutrition 20120501

Title: Analysis of quinolones by voltage-assisted liquid-phase microextraction combined with LC-MS.

Journal: Journal of separation science 20120301

Title: Evaluation of parallel milliliter-scale stirred-tank bioreactors for the study of biphasic whole-cell biocatalysis with ionic liquids.

Journal: Journal of biotechnology 20120101

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Journal: Journal of food science 20120101

Title: Valuable nutrients and functional bioactives in different parts of olive (Olea europaea L.)-a review.

Journal: International journal of molecular sciences 20120101

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Journal: Biotechnology letters 20100401

Title: Hollow fiber-liquid-phase microextraction of fungicides from orange juices.

Journal: Journal of chromatography. A 20100326

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Title: (E)-(2,4-Dichloro-phen-yl)[2-hydr-oxy-6-(methoxy-imino)cyclo-hex-1-en-yl]methanone.

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Title: Differential odor processing in two olfactory pathways in the honeybee.

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Title: Selective three-phase liquid phase microextraction of acidic compounds from foodstuff simulants.

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Title: Generalization mediates sensitivity to complex odor features in the honeybee.

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Title: Whole-cell bioreduction of aromatic alpha-keto esters using Candida tenuis xylose reductase and Candida boidinii formate dehydrogenase co-expressed in Escherichia coli.

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Title: Spectra and structure of binary azeotropes II. Acetone-n-pentane.

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Title: Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-kappaS]platinum(II) with Z' = 1 and 3 in the space group P2(1)2(1)2(1).

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Title: Chemical boundaries for detection of eye irritation in humans from homologous vapors.

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Title: Stability of immobilized soybean lipoxygenase in selected organic solvent media.

Journal: Applied biochemistry and biotechnology 20051001

Title: Designing the 'search pathway' in the development of a new class of highly efficient stereoselective hydrosilylation catalysts.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20050422

Title: Perceptual and neural olfactory similarity in honeybees.

Journal: PLoS biology 20050401

Title: Characterization of French and Spanish dry-cured hams: influence of the volatiles from the muscles and the subcutaneous fat quantified by SPME-GC.

Journal: Meat science 20050401

Title: Bimetallic isopropoxides M[Al(OC(3)H(i)(7))(4)](3) (M = Pr, Nd)--catalyzed reduction of 2-octanone and benzophenone.

Journal: Journal of colloid and interface science 20050101

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Title: Controlled production of Camembert-type cheeses. Part II. Changes in the concentration of the more volatile compounds.

Journal: The Journal of dairy research 20040801

Title: Use of an ionic liquid in a two-phase system to improve an alcohol dehydrogenase catalysed reduction.

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Title: Volatiles in a sausage surface model-influence of Penicillium nalgiovense, Pediococcus pentosaceus, ascorbate, nitrate and temperature.

Journal: Meat science 20040201

Title: An efficient direct alpha-alkylation of ketones with primary alcohols catalyzed by [Ir(cod)Cl]2/PPh3/KOH system without solvent.

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Title: Mass spectrometric analytical methods for the determination of endocrine disrupting chemicals (EDCs).

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Title: Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats.

Journal: Talanta 20030704

Title: Associative learning of complex odours in parasitoid host location.

Journal: Chemical senses 20030301

Title: Relationship between molecular structure, concentration and odor qualities of oxygenated aliphatic molecules.

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Title: Analysis of ketones by selected ion flow tube mass spectrometry.

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Title: Field dependence of mobilities for gas-phase-protonated monomers and proton-bound dimers of ketones by planar field asymmetric waveform ion mobility spectrometer (PFAIMS).

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Title: Influence of lipid fraction, emulsifier fraction, and mean particle diameter of oil-in-water emulsions on the release of 20 aroma compounds.

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Title: Asymmetric reduction of ketones with catecholborane using 2,6-BODOL complexes of titanium(IV) as catalysts.

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Title: Interactions between artificial saliva and 20 aroma compounds in water and oil model systems.

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