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5467-53-8,MFCD01462080
Catalog No.:AA00D8VK

5467-53-8 | 4-(4-Ethylphenyl)butanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$50.00   $35.00
- +
1g
95%
in stock  
$172.00   $120.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D8VK
Chemical Name:
4-(4-Ethylphenyl)butanoic acid
CAS Number:
5467-53-8
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD01462080
SMILES:
CCc1ccc(cc1)CCCC(=O)O
NSC Number:
28058
Properties
Properties
 
BP:
321.8°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
169  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
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:
3.2  

Upstream Synthesis Route

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,1991,vol.57,#34,p.227-233

[2]ChemMedChem,2018,vol.13,#11,p.1092-1097

[3]JournalofOrganicChemistry,1950,vol.15,p.950,954

[4]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,222

[5]ChemischeBerichte,1923,vol.56,p.630

[6]EuropeanJournalofMedicinalChemistry,1996,vol.31,#9,p.683-692

[7]Patent:US5618811,1997,A,

[8]Patent:US5731352,1998,A,

[1]Patent:WO2008/112368,2008,A2,.Locationinpatent:Page/Pagecolumn38

[1]Patent:WO2008/112368,2008,A2,

[1]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,220

[1]AnnalesdeChimie(Cachan,France),1938,vol.<11>9,p.5,82

[2]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1936,vol.202,p.1679

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,220

[1]JournaloftheChemicalSociety,1939,p.944,948

[1]ChemMedChem,2018,vol.13,p.1092-1097

[2]Patent:WO2019/178480,2019,A1.Locationinpatent:Page/Pagecolumn111;112

[3]ChemischeBerichte,1923,vol.56,p.630

[4]Chemicalandpharmaceuticalbulletin,1968,vol.16,p.2456-2462

[5]JournaloftheIndianChemicalSociety,1992,vol.69,p.26-28

[6]JournaloftheAmericanChemicalSociety,1940,vol.62,p.2219,2221    JournaloftheAmericanChemicalSociety,1940,vol.62,p.2550

[7]Patent:US5731352,1998,A

[8]AnnalesdeChimie(Cachan,France),1938,vol.<11>9,p.5,82    ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1936,vol.202,p.1679

5467-53-8   
4-(4-ethyl-cyclohexyl)-butyricacid 

[1]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,220

[1]JournaloftheAmericanChemicalSociety,1940,vol.62,p.2219,2221    JournaloftheAmericanChemicalSociety,1940,vol.62,p.2550

[2]AnnalesdeChimie(Cachan,France),1938,vol.<11>9,p.5,82    ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1936,vol.202,p.1679

Literature
Quotation Request
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SDS
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Tags:5467-53-8 Molecular Formula|5467-53-8 MDL|5467-53-8 SMILES|5467-53-8 4-(4-Ethylphenyl)butanoic acid
Catalog No.: AA00D8VK
5467-53-8,MFCD01462080
5467-53-8 | 4-(4-Ethylphenyl)butanoic acid
Pack Size： 250mg
Purity： 97%
in stock
$50.00 $35.00
Pack Size： 1g
Purity： 95%
in stock
$172.00 $120.00
Quantity
- +
Add to Card
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Technical Information
Catalog Number: AA00D8VK
Chemical Name: 4-(4-Ethylphenyl)butanoic acid
CAS Number: 5467-53-8
Molecular Formula: C12H16O2
Molecular Weight: 192.2542
MDL Number: MFCD01462080
SMILES: CCc1ccc(cc1)CCCC(=O)O
NSC Number: 28058
Properties
BP: 321.8°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;Room Temperature;  
Complexity: 169  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
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: 3.2  
Upstream Synthesis Route
49594-75-4    5467-53-8 

[1]Phosphorus,SulfurandSiliconandtheRelatedElements,1991,vol.57,#34,p.227-233

[2]ChemMedChem,2018,vol.13,#11,p.1092-1097

[3]JournalofOrganicChemistry,1950,vol.15,p.950,954

[4]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,222

[5]ChemischeBerichte,1923,vol.56,p.630

[6]EuropeanJournalofMedicinalChemistry,1996,vol.31,#9,p.683-692

[7]Patent:US5618811,1997,A,

[8]Patent:US5731352,1998,A,

412321-18-7    5467-53-8 

[1]Patent:WO2008/112368,2008,A2,.Locationinpatent:Page/Pagecolumn38

25309-64-2    5467-53-8 

[1]Patent:WO2008/112368,2008,A2,

96-48-0    100-41-4    5467-53-8 

[1]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,220

855221-60-2    5467-53-8 

[1]AnnalesdeChimie(Cachan,France),1938,vol.<11>9,p.5,82

[2]ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1936,vol.202,p.1679

Downstream Synthesis Route
96-48-0    100-41-4    5467-53-8 

[1]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,220

5467-53-8    412321-18-7 

[1]JournaloftheChemicalSociety,1939,p.944,948

5467-53-8    22531-06-2 

[1]ChemMedChem,2018,vol.13,p.1092-1097

[2]Patent:WO2019/178480,2019,A1.Locationinpatent:Page/Pagecolumn111;112

[3]ChemischeBerichte,1923,vol.56,p.630

[4]Chemicalandpharmaceuticalbulletin,1968,vol.16,p.2456-2462

[5]JournaloftheIndianChemicalSociety,1992,vol.69,p.26-28

[6]JournaloftheAmericanChemicalSociety,1940,vol.62,p.2219,2221    JournaloftheAmericanChemicalSociety,1940,vol.62,p.2550

[7]Patent:US5731352,1998,A

[8]AnnalesdeChimie(Cachan,France),1938,vol.<11>9,p.5,82    ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1936,vol.202,p.1679

5467-53-8   
4-(4-ethyl-cyclohexyl)-butyricacid 

[1]JustusLiebigsAnnalenderChemie,1955,vol.596,p.1,220

5467-53-8    855215-98-4 

[1]JournaloftheAmericanChemicalSociety,1940,vol.62,p.2219,2221    JournaloftheAmericanChemicalSociety,1940,vol.62,p.2550

[2]AnnalesdeChimie(Cachan,France),1938,vol.<11>9,p.5,82    ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1936,vol.202,p.1679

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855835-52-8
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