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459-80-3,MFCD00036493
Catalog No.:AA003QO5

459-80-3 | 3,7-Dimethylocta-2,6-dienoic acid

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Purity
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1g
98%
in stock  
$37.00   $26.00
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5g
98%
in stock  
$70.00   $49.00
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25g
98%
in stock  
$187.00   $131.00
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100g
98%(GCsumofisomers)
in stock  
$588.00   $412.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003QO5
Chemical Name:
3,7-Dimethylocta-2,6-dienoic acid
CAS Number:
459-80-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD00036493
SMILES:
CC(=CCC/C(=C/C(=O)O)/C)C
NSC Number:
229335
FEMA Number:
4121
Properties
Properties
 
BP:
295.3°C at 760 mmHg  
Form:
Solid  
MP:
185-186℃ (decomp)  
Refractive Index:
n20/D 1.484(lit.)  
Solubility:
H2O: insoluble  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
208  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Bal,BalkrishnaS.;Childers,WayneE.;Pinnick,HaroldW.[Tetrahedron,1981,vol.37,p.2091-2096]

[2]Dalcanale,Enrico;Montanari,Fernando[JournalofOrganicChemistry,1986,vol.51,#4,p.567-569]

[3]CurrentPatentAssignee:KONINKLIJKEDSMN.V.-WO2008/148549,2008,A2Locationinpatent:Page/Pagecolumn27-28

[4]Bernhauer;Forster[JournalfurpraktischeChemie(Leipzig1954),1936,vol.<2>147,p.199,201]

[5]Semmler[ChemischeBerichte,1890,vol.23,p.3556]

[6]Duettmann,H.;Weyerstahl,P.[JustusLiebigsAnnalenderChemie,1976,p.1753-1756]

[7]Andersen,JohnF.;Walding,JenniferK.;Evans,PhilipH.;Bowers,WilliamS.;Feyereisen,Rene[ChemicalResearchinToxicology,1997,vol.10,#2,p.156-164]

[8]Winkler,Till;Groeger,Harald;Hummel,Werner[ChemCatChem,2014,vol.6,#4,p.961-964]

[9]CurrentPatentAssignee:XIAMENOAMICBIOTECHCOLTD-CN109053407,2018,ALocationinpatent:Paragraph0048;0049;0050

[1]Akada,Mitsuo;Nakano,Shinji;Sugiyama,Toshiyuki;Ichitoh,Kazumoto;Nakao,Hiroki;etal.[BulletinoftheChemicalSocietyofJapan,1993,vol.66,#5,p.1511-1515]

[1]Patent:WO2012/113891,2012,A1.Locationinpatent:Page/Pagecolumn23

[2]BioorganicandMedicinalChemistry,2013,vol.21,p.1174-1179

[1]Brunel,JeanMichel;Lieutaud,Aurélie;Lome,Vincent;Pagès,Jean-Marie;Bolla,Jean-Michel[BioorganicandMedicinalChemistry,2013,vol.21,#5,p.1174-1179]

[1]BioorganicandMedicinalChemistry,2013,vol.21,p.1174-1179

Literature
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Tags:459-80-3 Molecular Formula|459-80-3 MDL|459-80-3 SMILES|459-80-3 3,7-Dimethylocta-2,6-dienoic acid