Home Other Building Blocks 3-Hexanone

3-Hexanone

CAS No.:
589-38-8
Catalog Number:
AG003JIM
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$116
- +
5g
1 week
United States
$210
- +
10g
1 week
United States
$337
- +
25g
1 week
United States
$591
- +
Product Description
Catalog Number:
AG003JIM
Chemical Name:
3-Hexanone
CAS Number:
589-38-8
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00009402
IUPAC Name:
hexan-3-one
InChI:
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
InChI Key:
PFCHFHIRKBAQGU-UHFFFAOYSA-N
SMILES:
CCCC(=O)CC
EC Number:
209-645-4
UNII:
P601A79G79
FEMA Number:
3290
UN Number:
1224
Properties
Complexity:
57.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Temporal profiling of human urine VOCs and its potential role under the ruins of collapsed buildings. Toxicology mechanisms and methods 20120901
Encoding odorant identity by spiking packets of rate-invariant neurons in awake mice. PloS one 20120101
Application of a C2-symmetric copper carbenoid in the enantioselective hydrosilylation of dialkyl and aryl-alkyl ketones. Journal of the American Chemical Society 20111214
Mammal pollinators lured by the scent of a parasitic plant. Proceedings. Biological sciences 20110807
NADPH-dependent reductases involved in the detoxification of reactive carbonyls in plants. The Journal of biological chemistry 20110304
Estimating the octanol/water partition coefficient for aliphatic organic compounds using semi-empirical electrotopological index. International journal of molecular sciences 20110101
Application of ion mobility spectrometry for the detection of human urine. Analytical and bioanalytical chemistry 20101101
Assessment of dominance hierarchy through urine scent marking and its chemical constituents in male blackbuck Antelope cervicapra, a critically endangered species. Behavioural processes 20100901
Chemical oxidation of 2,6-dimethylaniline by electrochemically generated Fenton's reagent. Journal of hazardous materials 20100415
Thermodynamic properties of hyperbranched polymer, Boltorn U3000, using inverse gas chromatography. The journal of physical chemistry. B 20091119
Chemical oxidation of 2,6-dimethylaniline in the fenton process. Environmental science & technology 20091115
Antimicrobial activity of the essential oil obtained from roots and chemical composition of the volatile constituents from the roots, stems, and leaves of Ballota nigra from Serbia. Journal of medicinal food 20090401
Rate constants for the reaction of cl with a series of C4 to C6 ketones using the relative rate method. The journal of physical chemistry. A 20071025
[Identification of volatiles from field cotton plant under different induction treatments]. Ying yong sheng tai xue bao = The journal of applied ecology 20070401
Pulsed laser photolysis vacuum UV laser-induced fluorescence kinetic study of the gas-phase reactions of Cl(2P3/2) atoms with C3-C6 ketones. The journal of physical chemistry. A 20070222
Ozone artifacts and carbonyl measurements using Tenax GR, Tenax TA, Carbopack B, and Carbopack X adsorbents. Journal of the Air & Waste Management Association (1995) 20061101
Modified determination method of total bromine in agricultural products by gas chromatography. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20050601
Migration of volatile degradation products into ozonated water from plastic packaging materials. Food additives and contaminants 20031001
Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction. Journal of agricultural and food chemistry 20030813
Altered host plant volatiles are proxies for sex pheromones in the gall wasp Antistrophus rufus. Proceedings of the National Academy of Sciences of the United States of America 20021126
Properties