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816-19-3,MFCD00043849
Catalog No.:AA0058B7

816-19-3 | Hexanoic acid,2-ethyl-, methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
in stock  
$79.00   $55.00
- +
5g
in stock  
$222.00   $155.00
- +
25g
in stock  
$650.00   $455.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0058B7
Chemical Name:
Hexanoic acid,2-ethyl-, methyl ester
CAS Number:
816-19-3
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD00043849
SMILES:
CCCCC(C(=O)OC)CC
Properties
Properties
 
BP:
82 °C(Press: 24 Torr)  
Form:
Liquid  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
110  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Downstream Synthesis Route

[1]Shuikin,N.I.etal.[JournalofgeneralchemistryoftheUSSR,1964,vol.34,p.2131-2133][ZhurnalObshcheiKhimii,1964,vol.34,#7,p.2118-2120]

2-Bromo-2-ethyl-hexanoicacidmethylester 
  816-19-3 

[1]Schwarzkopf,Kay;Blumenstein,Michael;Hayen,Ahlke;Metzger,JürgenO.[EuropeanJournalofOrganicChemistry,1998,#1,p.177-181]

[1]Pusizkiietal.[ZhurnalObshcheiKhimii,1959,vol.29,p.4014,4016;engl.Ausg.S.3972,3974]

[1]Hegedus,LouisS.;Darlington,W.H.;Russell,CharlesE.[JournalofOrganicChemistry,1980,vol.45,#25,p.5193-5196]

[1]Vasil'ev,Andrei;Engman,Lars[JournalofOrganicChemistry,2000,vol.65,#7,p.2151-2162]

Literature

Title: Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.

Journal: Bioorganic & medicinal chemistry letters 20110415

Title: Use of headspace SPME-GC-MS for the analysis of the volatiles produced by indoor molds grown on different substrates.

Journal: Journal of environmental monitoring : JEM 20081001

Title: Detection of fungal development in closed spaces through the determination of specific chemical targets.

Journal: Chemosphere 20080501

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SDS
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Tags:816-19-3 Molecular Formula|816-19-3 MDL|816-19-3 SMILES|816-19-3 Hexanoic acid,2-ethyl-, methyl ester
Catalog No.: AA0058B7
816-19-3,MFCD00043849
816-19-3 | Hexanoic acid,2-ethyl-, methyl ester
Pack Size： 1g
Purity：
in stock
$79.00 $55.00
Pack Size： 5g
Purity：
in stock
$222.00 $155.00
Pack Size： 25g
Purity：
in stock
$650.00 $455.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA0058B7
Chemical Name: Hexanoic acid,2-ethyl-, methyl ester
CAS Number: 816-19-3
Molecular Formula: C9H18O2
Molecular Weight: 158.2380
MDL Number: MFCD00043849
SMILES: CCCCC(C(=O)OC)CC
Properties
BP: 82 °C(Press: 24 Torr)  
Form: Liquid  
Storage: Room Temperature;Keep in dry area;  
Complexity: 110  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Downstream Synthesis Route
90926-65-1    816-19-3 

[1]Shuikin,N.I.etal.[JournalofgeneralchemistryoftheUSSR,1964,vol.34,p.2131-2133][ZhurnalObshcheiKhimii,1964,vol.34,#7,p.2118-2120]

2-Bromo-2-ethyl-hexanoicacidmethylester 
  816-19-3 

[1]Schwarzkopf,Kay;Blumenstein,Michael;Hayen,Ahlke;Metzger,JürgenO.[EuropeanJournalofOrganicChemistry,1998,#1,p.177-181]

592-76-7    816-19-3    813-69-4 

[1]Pusizkiietal.[ZhurnalObshcheiKhimii,1959,vol.29,p.4014,4016;engl.Ausg.S.3972,3974]

816-19-3    75266-52-3 

[1]Hegedus,LouisS.;Darlington,W.H.;Russell,CharlesE.[JournalofOrganicChemistry,1980,vol.45,#25,p.5193-5196]

67-56-1    14250-95-4    816-19-3    266683-59-4 

[1]Vasil'ev,Andrei;Engman,Lars[JournalofOrganicChemistry,2000,vol.65,#7,p.2151-2162]

Literature fold

Title: Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.

Journal: Bioorganic & medicinal chemistry letters20110415

Title: Use of headspace SPME-GC-MS for the analysis of the volatiles produced by indoor molds grown on different substrates.

Journal: Journal of environmental monitoring : JEM20081001

Title: Detection of fungal development in closed spaces through the determination of specific chemical targets.

Journal: Chemosphere20080501

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