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51566-62-2,MFCD00072204
Catalog No.:AA00DDU1

51566-62-2 | Citronellyl nitrile

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Purity
Availability
Price(USD)
Quantity
  
25g
97%
in stock  
$9.00   $7.00
- +
100g
97%
in stock  
$26.00   $18.00
- +
500g
97%
in stock  
$123.00   $86.00
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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:
AA00DDU1
Chemical Name:
Citronellyl nitrile
CAS Number:
51566-62-2
Molecular Formula:
C10H17N
Molecular Weight:
151.2487
MDL Number:
MFCD00072204
SMILES:
CC(CC#N)CCC=C(C)C
Properties
Computed Properties
 
Complexity:
167  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ZHEJIANGNHUCO.,LTD.-CN113683532,2021,ALocationinpatent:Paragraph0032-0047

[2]Profitt,J.A.etal.[JournalofOrganicChemistry,1975,vol.40,#1,p.127-128]

[3]CurrentPatentAssignee:KONINKLIJKEDSMN.V.-WO2015/24978,2015,A1Locationinpatent:Page/Pagecolumn37;39

[4]CurrentPatentAssignee:KONINKLIJKEDSMN.V.-EP2840077,2015,A1Locationinpatent:Paragraph0058

[1]Zhuang,Yan-Jun;Liu,Jie;Kang,Yan-Biao[TetrahedronLetters,2016,vol.57,#50,p.5700-5702]

[2]An,Xiao-De;Yu,Shouyun[OrganicLetters,2015,vol.17,#20,p.5064-5067]

[3]Erman;Snow;Williams[TetrahedronLetters,2000,vol.41,#35,p.6749-6752]

[4]Shinozaki,Hiraku;Imaizumi,Mari;Tajima,Moritaka[ChemistryLetters,1983,p.929-932]

[5]Erman;Snow;Williams[TetrahedronLetters,2000,vol.41,#35,p.6749-6752]

[6]Fang,Wan-Yin;Qin,Hua-Li[JournalofOrganicChemistry,2019,vol.84,#9,p.5803-5812]

[1]Rapeyko,Anastasia;Climent,MariaJ.;Corma,Avelino;Concepciõn,Patricia;Iborra,Sara[ChemSusChem,2015,vol.8,#19,p.3270-3282]

[2]Yan,Zhao-Hua;Tian,Huan;Zhao,Dong-Dong;Jin,Hong-Ai;Tian,Wei-Sheng[ChineseChemicalLetters,2016,vol.27,#1,p.96-98]

[3]Zhuang,Yan-Jun;Liu,Jie;Kang,Yan-Biao[TetrahedronLetters,2016,vol.57,#50,p.5700-5702]

[4]Shinozaki,Hiraku;Imaizumi,Mari;Tajima,Moritaka[ChemistryLetters,1983,p.929-932]

[5]Zhang,Wei;Lin,Jin-Hong;Zhang,Pengfei;Xiao,Ji-Chang[ChemicalCommunications,2020,vol.56,#46,p.6221-6224]

[6]Betke,Tobias;Rommelmann,Philipp;Oike,Keiko;Asano,Yasuhisa;Gröger,Harald[AngewandteChemie-InternationalEdition,2017,vol.56,#40,p.12361-12366][Angew.Chem.,2017,vol.129,p.12533-12538]

[7]Fukuzawa,Shin-Ichi;Yamaishi,Yasuhiro;Furuya,Hideki;Terao,Keiji;Iwasaki,Fumiaki[TetrahedronLetters,1997,vol.38,#41,p.7203-7206]

[8]CurrentPatentAssignee:TAKASAGOINTERNATIONALCORPORATION-EP2853526,2015,A1Locationinpatent:Paragraph0028-0029

[9]Fang,Wan-Yin;Qin,Hua-Li[JournalofOrganicChemistry,2019,vol.84,#9,p.5803-5812]

Literature

Title: Comparative metabolism of geranyl nitrile and citronellyl nitrile in mouse, rat, and human hepatocytes.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20060601

Title: An assessment of the release of inorganic cyanide from the fragrance materials benzyl cyanide, geranyl nitrile and citronellyl nitrile applied dermally to the rat.

Journal: Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20010201

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