18951-85-4,MFCD00075195
Catalog No.:AA002DNM

18951-85-4 | (R)-(+)-Citronellic acid

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100mg
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250mg
98%
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$24.00   $17.00
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1g
98%
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$39.00   $27.00
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5g
98%
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$191.00   $134.00
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10g
98%
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$381.00   $267.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002DNM
Chemical Name:
(R)-(+)-Citronellic acid
CAS Number:
18951-85-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD00075195
SMILES:
C[C@@H](CC(=O)O)CCC=C(C)C
Properties
Properties
 
BP:
257°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.4534(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
167  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Downstream Synthesis Route

[1]Odinokov,V.N.;Akhmetova,V.R.;Khasanov,Kh.D.;Abduvakhabov,A.A.;Khalilov,L.M.;etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1992,vol.28,#6.1,p.908-914][ZhurnalOrganicheskoiKhimii,1992,vol.28,#6,p.1163-1172]

[2]Comeau,Christian;Ries,Benjamin;Stadelmann,Thomas;Tremblay,Jacob;Poulet,Sylvain;Fröhlich,Ulrike;Côté,Jérôme;Boudreault,Pierre-Luc;Derbali,RabebMouna;Sarret,Philippe;Grandbois,Michel;Leclair,Grégoire;Riniker,Sereina;Marsault,Éric[JournalofMedicinalChemistry,2021,vol.64,#9,p.5365-5383]

[3]Plesek[CollectionofCzechoslovakChemicalCommunications,1957,vol.22,p.644]Lukesetal.[CroaticaChemicaActa,1957,vol.29,p.201,204]

[4]Mori[Tetrahedron,1977,vol.33,#3,p.289-294]Sato,Toshio;Kawara,Tatsuo;Nishizawa,Akira;Fujisawa,Tamotsu[TetrahedronLetters,1980,vol.21,#35,p.3377-3380]Hill,RichardK.;Abaecherli,Claudio;Hagishita,Sanji[CanadianJournalofChemistry,1994,vol.72,#1,p.110-113]

[5]Locationinpatent:experimentalpartFlachsbarth,Birte;Fritzsche,Matthias;Weldon,PaulJ.;Schulz,Stefan[Chemistryandbiodiversity,2009,vol.6,#1,p.1-37]

[1]Goetz,DanielB.;Holstein,SarahA.;Varney,MichelleL.;Wiemer,DavidF.[Bioorganicandmedicinalchemistry,2020,vol.28,#16]

[2]CurrentPatentAssignee:ASTRAZENECAPLC-WO2020/51532,2020,A2Locationinpatent:Page/Pagecolumn453;531;532

[3]Watermann;Elsbach[RecueildesTravauxChimiquesdesPays-Bas,1934,vol.53,p.730]

[4]Kremers[AmericanChemicalJournal,1892,vol.14,p.208]Semmler[ChemischeBerichte,1891,vol.24,p.208]

[5]Kuhn;Schinz[HelveticaChimicaActa,1953,vol.36,p.161,168]

[6]Mehta;Acharyulu[SyntheticCommunications,1992,vol.22,#6,p.933-940]

[7]Muto,Shin-Etsu;Bando,Masahiko;Mori,Kenji[EuropeanJournalofOrganicChemistry,2004,#9,p.1946-1952]

[8]Hashimoto;Yamada;Koga[ChemicalandPharmaceuticalBulletin,1979,vol.27,#3,p.771-782]

[9]Korthals,KeithA.;Wulff,WilliamD.[JournaloftheAmericanChemicalSociety,2008,vol.130,#10,p.2898-2899]

[10]Eleftheriadis,Nikolaos;Neochoritis,ConstantinosG.;Leus,NiekG.J.;VanDerWouden,PetraE.;Dömling,Alexander;Dekker,FrankJ.[JournalofMedicinalChemistry,2015,vol.58,#19,p.7850-7862]

[1]Yabuuchi,Tetsuya;Kusumi,Takenori[JournalofOrganicChemistry,2000,vol.65,#2,p.397-404]

[2]Comeau,Christian;Ries,Benjamin;Stadelmann,Thomas;Tremblay,Jacob;Poulet,Sylvain;Fröhlich,Ulrike;Côté,Jérôme;Boudreault,Pierre-Luc;Derbali,RabebMouna;Sarret,Philippe;Grandbois,Michel;Leclair,Grégoire;Riniker,Sereina;Marsault,Éric[JournalofMedicinalChemistry,2021,vol.64,#9,p.5365-5383]

[3]Tiemann;Schmidt[ChemischeBerichte,1897,vol.30,p.27][ChemischeBerichte,1896,vol.29,p.913]

[4]Oda,Shinobu;Sugai,Takeshi;Ohta,Hiromichi[BulletinoftheChemicalSocietyofJapan,2000,vol.73,#12,p.2819-2823]

[1]Mehta;Acharyulu[SyntheticCommunications,1992,vol.22,#6,p.933-940]

[2]Mori;Masuda;Suguro[Tetrahedron,1981,vol.37,#7,p.1329-1340]

[3]Goetz,DanielB.;Holstein,SarahA.;Varney,MichelleL.;Wiemer,DavidF.[Bioorganicandmedicinalchemistry,2020,vol.28,#16]

[4]Lukesetal.[CroaticaChemicaActa,1957,vol.29,p.201,204]Takata[YakugakuKenkyu,1952,vol.24,p.518,520][Chem.Abstr.,1953,p.4856]

[5]Dauben,WilliamG.;Bridon,DominiqueP.;Kowalczyk,BruceA.[JournalofOrganicChemistry,1989,vol.54,#26,p.6101-6106]

[6]Fairlamb,IanJ.S.;Dickinson,JuliaM.;O'Connor,Rachael;Higson,Seamus;Grieveson,Lynsey;Marin,Veronica[BioorganicandMedicinalChemistry,2002,vol.10,#8,p.2641-2656]

[7]Sato,Toshio;Kawara,Tatsuo;Nishizawa,Akira;Fujisawa,Tamotsu[TetrahedronLetters,1980,vol.21,#35,p.3377-3380]

[8]Herrmann,AaronT.;Smith,LindsayL.;Zakarian,Armen[JournaloftheAmericanChemicalSociety,2012,vol.134,#16,p.6976-6979]

[9]Correia,JoséTiagoM.;PivaDaSilva,Gustavo;Kisukuri,CamilaM.;André,Elias;Pires,Bruno;Carneiro,PabloS.;Paixaõ,MárcioW.[JournalofOrganicChemistry,2020,vol.85,#15,p.9820-9834]

[1]Naoshima,Yoshinobu;Hayashi,Daijiro;Ochi,Masato[AgriculturalandBiologicalChemistry,1988,vol.52,#6,p.1605-1606]

[2]White,JamesD.;Amedio,JohnC.;Gut,Samuel;Ohira,Susumu;Jayasinghe,LalithR.[JournalofOrganicChemistry,1992,vol.57,#8,p.2270-2284]

[3]White,JamesD.;Jayasinghe,LalithR.[TetrahedronLetters,1988,vol.29,#18,p.2139-2142]

[4]Mori;Masuda;Suguro[Tetrahedron,1981,vol.37,#7,p.1329-1340]

[5]Thijs,L.;Stokkingreef,E.H.M.;Lemmens,J.M.;Zwanenburg,B.[Tetrahedron,1985,vol.41,#14,p.2949-2956]

[6]Suzuki,Takahisa;Ozaki,Jotaro;Sugawara,Ryozo[AgriculturalandBiologicalChemistry,1983,vol.47,#4,p.869-876]

[7]Raederstorff,Daniel;Shu,ArthurY.L.;Thompson,JaniceE.;Djerassi,Carl[JournalofOrganicChemistry,1987,vol.52,#12,p.2337-2346]

[8]Verma,Ajay;Jana,Sadhan;Prasad,Ch.Durga;Yadav,Abhimanyu;Kumar,Sangit[ChemicalCommunications,2016,vol.52,#22,p.4179-4182]

[9]Chen,ChengYu;Nagumo,Shinji;Akita,Hiroyuki[ChemicalandPharmaceuticalBulletin,1996,vol.44,#11,p.2153-2156]

[10]Plesek[CollectionofCzechoslovakChemicalCommunications,1957,vol.22,p.644]Lukesetal.[CroaticaChemicaActa,1957,vol.29,p.201,204]

[11]Mori,Kenji;Waku,Michiru[Tetrahedron,1984,vol.40,#2,p.305-309]

[12]Mori,K.;Kuwahara,S.;Levinson,H.Z.;Levinson,A.R.[Tetrahedron,1982,vol.38,#15,p.2291-2297]

[13]Kikukawa,Tadashi;Imaida,Motomasa;Tai,Akira[ChemistryLetters,1982,p.1799-1802]

[14]Kumar,JayprakashNarayan;Das,Biswanath[Synlett,2014,vol.25,#6,p.863-865]

Literature
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Tags:18951-85-4 Molecular Formula|18951-85-4 MDL|18951-85-4 SMILES|18951-85-4 (R)-(+)-Citronellic acid
Catalog No.: AA002DNM
18951-85-4,MFCD00075195
18951-85-4 | (R)-(+)-Citronellic acid
Pack Size: 100mg
Purity: 98%
in stock
$16.00 $12.00
Pack Size: 250mg
Purity: 98%
in stock
$24.00 $17.00
Pack Size: 1g
Purity: 98%
in stock
$39.00 $27.00
Pack Size: 5g
Purity: 98%
in stock
$191.00 $134.00
Pack Size: 10g
Purity: 98%
in stock
$381.00 $267.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002DNM
Chemical Name: (R)-(+)-Citronellic acid
CAS Number: 18951-85-4
Molecular Formula: C10H18O2
Molecular Weight: 170.2487
MDL Number: MFCD00075195
SMILES: C[C@@H](CC(=O)O)CCC=C(C)C
Properties
BP: 257°C at 760 mmHg  
Form: Liquid  
Refractive Index: n20/D 1.4534(lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 167  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Downstream Synthesis Route
908094-01-9    18951-85-4    20425-48-3 

[1]Odinokov,V.N.;Akhmetova,V.R.;Khasanov,Kh.D.;Abduvakhabov,A.A.;Khalilov,L.M.;etal.[JournalofOrganicChemistryUSSR(EnglishTranslation),1992,vol.28,#6.1,p.908-914][ZhurnalOrganicheskoiKhimii,1992,vol.28,#6,p.1163-1172]

[2]Comeau,Christian;Ries,Benjamin;Stadelmann,Thomas;Tremblay,Jacob;Poulet,Sylvain;Fröhlich,Ulrike;Côté,Jérôme;Boudreault,Pierre-Luc;Derbali,RabebMouna;Sarret,Philippe;Grandbois,Michel;Leclair,Grégoire;Riniker,Sereina;Marsault,Éric[JournalofMedicinalChemistry,2021,vol.64,#9,p.5365-5383]

[3]Plesek[CollectionofCzechoslovakChemicalCommunications,1957,vol.22,p.644]Lukesetal.[CroaticaChemicaActa,1957,vol.29,p.201,204]

[4]Mori[Tetrahedron,1977,vol.33,#3,p.289-294]Sato,Toshio;Kawara,Tatsuo;Nishizawa,Akira;Fujisawa,Tamotsu[TetrahedronLetters,1980,vol.21,#35,p.3377-3380]Hill,RichardK.;Abaecherli,Claudio;Hagishita,Sanji[CanadianJournalofChemistry,1994,vol.72,#1,p.110-113]

[5]Locationinpatent:experimentalpartFlachsbarth,Birte;Fritzsche,Matthias;Weldon,PaulJ.;Schulz,Stefan[Chemistryandbiodiversity,2009,vol.6,#1,p.1-37]

2385-77-5    18951-85-4 

[1]Goetz,DanielB.;Holstein,SarahA.;Varney,MichelleL.;Wiemer,DavidF.[Bioorganicandmedicinalchemistry,2020,vol.28,#16]

[2]CurrentPatentAssignee:ASTRAZENECAPLC-WO2020/51532,2020,A2Locationinpatent:Page/Pagecolumn453;531;532

[3]Watermann;Elsbach[RecueildesTravauxChimiquesdesPays-Bas,1934,vol.53,p.730]

[4]Kremers[AmericanChemicalJournal,1892,vol.14,p.208]Semmler[ChemischeBerichte,1891,vol.24,p.208]

[5]Kuhn;Schinz[HelveticaChimicaActa,1953,vol.36,p.161,168]

[6]Mehta;Acharyulu[SyntheticCommunications,1992,vol.22,#6,p.933-940]

[7]Muto,Shin-Etsu;Bando,Masahiko;Mori,Kenji[EuropeanJournalofOrganicChemistry,2004,#9,p.1946-1952]

[8]Hashimoto;Yamada;Koga[ChemicalandPharmaceuticalBulletin,1979,vol.27,#3,p.771-782]

[9]Korthals,KeithA.;Wulff,WilliamD.[JournaloftheAmericanChemicalSociety,2008,vol.130,#10,p.2898-2899]

[10]Eleftheriadis,Nikolaos;Neochoritis,ConstantinosG.;Leus,NiekG.J.;VanDerWouden,PetraE.;Dömling,Alexander;Dekker,FrankJ.[JournalofMedicinalChemistry,2015,vol.58,#19,p.7850-7862]

1117-61-9    18951-85-4 

[1]Yabuuchi,Tetsuya;Kusumi,Takenori[JournalofOrganicChemistry,2000,vol.65,#2,p.397-404]

[2]Comeau,Christian;Ries,Benjamin;Stadelmann,Thomas;Tremblay,Jacob;Poulet,Sylvain;Fröhlich,Ulrike;Côté,Jérôme;Boudreault,Pierre-Luc;Derbali,RabebMouna;Sarret,Philippe;Grandbois,Michel;Leclair,Grégoire;Riniker,Sereina;Marsault,Éric[JournalofMedicinalChemistry,2021,vol.64,#9,p.5365-5383]

[3]Tiemann;Schmidt[ChemischeBerichte,1897,vol.30,p.27][ChemischeBerichte,1896,vol.29,p.913]

[4]Oda,Shinobu;Sugai,Takeshi;Ohta,Hiromichi[BulletinoftheChemicalSocietyofJapan,2000,vol.73,#12,p.2819-2823]

18951-85-4    77732-35-5 

[1]Mehta;Acharyulu[SyntheticCommunications,1992,vol.22,#6,p.933-940]

[2]Mori;Masuda;Suguro[Tetrahedron,1981,vol.37,#7,p.1329-1340]

[3]Goetz,DanielB.;Holstein,SarahA.;Varney,MichelleL.;Wiemer,DavidF.[Bioorganicandmedicinalchemistry,2020,vol.28,#16]

[4]Lukesetal.[CroaticaChemicaActa,1957,vol.29,p.201,204]Takata[YakugakuKenkyu,1952,vol.24,p.518,520][Chem.Abstr.,1953,p.4856]

[5]Dauben,WilliamG.;Bridon,DominiqueP.;Kowalczyk,BruceA.[JournalofOrganicChemistry,1989,vol.54,#26,p.6101-6106]

[6]Fairlamb,IanJ.S.;Dickinson,JuliaM.;O'Connor,Rachael;Higson,Seamus;Grieveson,Lynsey;Marin,Veronica[BioorganicandMedicinalChemistry,2002,vol.10,#8,p.2641-2656]

[7]Sato,Toshio;Kawara,Tatsuo;Nishizawa,Akira;Fujisawa,Tamotsu[TetrahedronLetters,1980,vol.21,#35,p.3377-3380]

[8]Herrmann,AaronT.;Smith,LindsayL.;Zakarian,Armen[JournaloftheAmericanChemicalSociety,2012,vol.134,#16,p.6976-6979]

[9]Correia,JoséTiagoM.;PivaDaSilva,Gustavo;Kisukuri,CamilaM.;André,Elias;Pires,Bruno;Carneiro,PabloS.;Paixaõ,MárcioW.[JournalofOrganicChemistry,2020,vol.85,#15,p.9820-9834]

18951-85-4    1117-61-9 

[1]Naoshima,Yoshinobu;Hayashi,Daijiro;Ochi,Masato[AgriculturalandBiologicalChemistry,1988,vol.52,#6,p.1605-1606]

[2]White,JamesD.;Amedio,JohnC.;Gut,Samuel;Ohira,Susumu;Jayasinghe,LalithR.[JournalofOrganicChemistry,1992,vol.57,#8,p.2270-2284]

[3]White,JamesD.;Jayasinghe,LalithR.[TetrahedronLetters,1988,vol.29,#18,p.2139-2142]

[4]Mori;Masuda;Suguro[Tetrahedron,1981,vol.37,#7,p.1329-1340]

[5]Thijs,L.;Stokkingreef,E.H.M.;Lemmens,J.M.;Zwanenburg,B.[Tetrahedron,1985,vol.41,#14,p.2949-2956]

[6]Suzuki,Takahisa;Ozaki,Jotaro;Sugawara,Ryozo[AgriculturalandBiologicalChemistry,1983,vol.47,#4,p.869-876]

[7]Raederstorff,Daniel;Shu,ArthurY.L.;Thompson,JaniceE.;Djerassi,Carl[JournalofOrganicChemistry,1987,vol.52,#12,p.2337-2346]

[8]Verma,Ajay;Jana,Sadhan;Prasad,Ch.Durga;Yadav,Abhimanyu;Kumar,Sangit[ChemicalCommunications,2016,vol.52,#22,p.4179-4182]

[9]Chen,ChengYu;Nagumo,Shinji;Akita,Hiroyuki[ChemicalandPharmaceuticalBulletin,1996,vol.44,#11,p.2153-2156]

[10]Plesek[CollectionofCzechoslovakChemicalCommunications,1957,vol.22,p.644]Lukesetal.[CroaticaChemicaActa,1957,vol.29,p.201,204]

[11]Mori,Kenji;Waku,Michiru[Tetrahedron,1984,vol.40,#2,p.305-309]

[12]Mori,K.;Kuwahara,S.;Levinson,H.Z.;Levinson,A.R.[Tetrahedron,1982,vol.38,#15,p.2291-2297]

[13]Kikukawa,Tadashi;Imaida,Motomasa;Tai,Akira[ChemistryLetters,1982,p.1799-1802]

[14]Kumar,JayprakashNarayan;Das,Biswanath[Synlett,2014,vol.25,#6,p.863-865]

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