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110-13-4,MFCD00008792
Catalog No.:AA003FYI

110-13-4 | 2,5-Hexanedione

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Purity
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10g
98%
in stock  
$6.00   $4.00
- +
25g
98%
in stock  
$7.00   $5.00
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100g
98%
in stock  
$23.00   $16.00
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500g
98%
in stock  
$106.00   $75.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003FYI
Chemical Name:
2,5-Hexanedione
CAS Number:
110-13-4
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD00008792
SMILES:
CC(=O)CCC(=O)C
NSC Number:
7621
UN Number:
1224
Properties
Properties
 
BP:
188.8°C at 760 mmHg  
Form:
Liquid  
MP:
−6-−5 °C(lit.)  
Refractive Index:
n20/D 1.425(lit.)  
Solubility:
alcohol: miscible  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
91.1  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
-0.3  

Upstream Synthesis Route

[1]Patent:US9617268,2017,B2,.Locationinpatent:Page/Pagecolumn395;396

[2]JournaloftheAmericanChemicalSociety,1956,vol.78,p.1961,1964

[3]JournaloftheAmericanChemicalSociety,1938,vol.60,p.2456

[4]JournaloftheChemicalSociety-DaltonTransactions,1996,#10,p.2117-2122

[5]GazzettaChimicaItaliana,1950,vol.80,p.783,786

[1]JournaloftheAmericanChemicalSociety,1956,vol.78,p.1961,1964

[1]Patent:US2012/214762,2012,A1,.Locationinpatent:Page/Pagecolumn102

[2]JournalofHeterocyclicChemistry,2003,vol.40,#4,p.655-658

[3]JournalofMedicinalChemistry,2017,vol.60,#2,p.627-640

[4]ChemischeBerichte,1909,vol.42,p.1879

[5]TetrahedronLetters,1987,vol.28,#47,p.5797-5800

[6]JournalofPhysicalOrganicChemistry,2002,vol.15,#5,p.247-257

[7]Patent:US5470862,1995,A,

[8]JournalofHeterocyclicChemistry,2009,vol.46,#5,p.909-913

[9]Patent:WO2009/158011,2009,A1,.Locationinpatent:Page/Pagecolumn167

[1]GazzettaChimicaItaliana,1948,vol.78,p.622,628

[2]AttiX.Congr.int.Chim.Rom,1938,p.Bd.3,S.110,118

[1]AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1912,vol.<5>21I,p.665

Downstream Synthesis Route
23687-25-4    110-13-4   
4-(2,5-dimethyl-pyrrol-1-yl)-isoquinoline 

[1]JournaloftheAmericanChemicalSociety,1947,vol.69,p.1946

21352-22-7    110-13-4   
3-(2,5-dimethyl-pyrrol-1-yl)-2-methyl-quinoline 

[1]JournalandProceedings-RoyalSocietyofNewSouthWales,1940,vol.74,p.443,447

936-12-9    110-13-4   
2,4,7-trimethyl-indole-3-carboxylicacid 

[1]JournalofOrganicChemistry,1937,vol.2,p.227,231

4146-43-4    110-13-4   
hexane-2,5-dione-(3-hydrazinocarbonyl-propionylhydrazone)-3-(1-methyl-4-oxo-pentylidenehydrazinocarbonyl)-propionylhydrazone 

[1],1944,vol.2,p.8

2696-84-6    110-13-4   
2,5-dimethyl-1-(4-propyl-phenyl)-pyrrole 

[1]JournaloftheChineseChemicalSociety,2013,vol.60,p.1103-1106

[2]JournaloftheChemicalSociety,1955,p.1581,1583    Errata,1957

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Title: Clioquinol and 2,5-hexanedione induce different types of distal axonopathy in the dog.

Journal: Acta neuropathologica 19790801

Title: Experimental neuropathy produced by 2,5-hexanedione--a major metabolite of the neurotoxic industrial solvent methyl n-butyl ketone.

Journal: Journal of neurology, neurosurgery, and psychiatry 19750801

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Tags:110-13-4 Molecular Formula|110-13-4 MDL|110-13-4 SMILES|110-13-4 2,5-Hexanedione