Home Other Building Blocks 5405-41-4
5405-41-4,MFCD00004545
Catalog No.:AA00I9KM

5405-41-4 | Ethyl 3-hydroxybutanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
95%
in stock  
$18.00   $13.00
- +
25g
>98.0%(GC)
in stock  
$38.00   $27.00
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500g
>98.0%(GC)
in stock  
$226.00   $158.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I9KM
Chemical Name:
Ethyl 3-hydroxybutanoate
CAS Number:
5405-41-4
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD00004545
SMILES:
CCOC(=O)CC(C)O
FEMA Number:
3428
UN Number:
1993
Properties
Properties
 
BP:
175°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.42(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
90.3  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.2  

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1921,vol.119,p.339    JournaloftheChemicalSociety,1925,vol.127,p.475

[1]MonatsheftefurChemie,1929,vol.53/54,p.124

[2]ActaChemicaScandinavica(1947),1972,vol.26,p.667-684

[1]JournaloftheAmericanChemicalSociety,1961,vol.83,p.4228-4233

[2]JournaloftheChemicalSocietyC:Organic,1971,p.3743-3748

[3]JournalofPhysicalOrganicChemistry,2011,vol.24,p.578-587

[1]Voss,ConstanceV.;Gruber,ChristianC.;Faber,Kurt;Knaus,Tanja;Macheroux,Peter;Kroutil,Wolfgang[JournaloftheAmericanChemicalSociety,2008,vol.130,#42,p.13969-13972]

[2]Ehrler,Juergvon;Seebach,Dieter[HelveticaChimicaActa,1989,vol.72,p.793-799]

[3]Turcu,MihaelaC.;Kiljunen,Eero;Kanerva,LiisaT.[TetrahedronAsymmetry,2007,vol.18,#14,p.1682-1687]

[1]Garcia,MariaJesus;Rebolledo,Francisca;Gotor,Vicente[TetrahedronAsymmetry,1993,vol.4,#10,p.2199-2210]

[2]Xie,Shengming;Zhang,Junhui;Fu,Nan;Wang,Bangjin;Hu,Cong;Yuan,Liming[Molecules,2016,vol.21,#11]

[3]Xie,Sheng-Ming;Fu,Nan;Li,Li;Yuan,Bao-Yan;Zhang,Jun-Hui;Li,Yan-Xia;Yuan,Li-Ming[AnalyticalChemistry,2018,vol.90,#15,p.9182-9188]

Literature

Title: Ortega C, et al. Fast analysis of important wine volatile compounds development and validation of a new method based on gas chromatographic-flame ionisation detection analysis of dichloromethane microextracts. J Chromatogr A. 2001 Jul 20;923(1-2):205-14.

Title: Jonfia-Essien WA, et al. Behavioural responses of Tribolium castaneum (Herbst) to volatiles identified from dry cocoa beans. Pak J Biol Sci. 2007 Oct 15;10(20):3549-56.

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SDS
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