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42072-39-9,MFCD00135167
Catalog No.:AA003CEG

42072-39-9 | (S)-(+)-3-Methyl-1-pentanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$127.00   $89.00
- +
1g
95%
in stock  
$361.00   $253.00
- +
5g
95%
in stock  
$1,039.00 $727.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003CEG
Chemical Name:
(S)-(+)-3-Methyl-1-pentanol
CAS Number:
42072-39-9
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
MDL Number:
MFCD00135167
SMILES:
OCC[C@H](CC)C
Properties
Properties
 
BP:
152 °C  
Form:
Liquid  
Refractive Index:
8.7 ° (C=neat)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
35.2  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.8  

Downstream Synthesis Route

[1]TetrahedronAsymmetry,1999,vol.10,p.841-853

[2]Patent:US6417399,2002,B1

[3]Macromolecules,2005,vol.38,p.5860-5867

[4]GazzettaChimicaItaliana,1961,vol.91,p.441-457

[5]TetrahedronLetters,1995,vol.36,p.1571-1574

[6]Bioscience,BiotechnologyandBiochemistry,1999,vol.63,p.1209-1215

[7]Tetrahedron,1966,vol.22,p.1991-2001

[1]Synlett,2005,p.2781-2785

[2]GazzettaChimicaItaliana,1961,vol.91,p.441-457

[3]TetrahedronLetters,2007,vol.48,p.1707-1709

[4]JournalofBiologicalChemistry,1931,vol.91,p.95    JournalofBiologicalChemistry,1936,vol.115,p.272

[5]AngewandteChemie-InternationalEdition,2018,vol.57,p.13829-13832    Angew.Chem.,2018,vol.130,p.14025-14028,4

[6]JournalofEnzymeInhibitionandMedicinalChemistry,2019,vol.34,p.1078-1082

Literature
Quotation Request
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SDS
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Tags:42072-39-9 Molecular Formula|42072-39-9 MDL|42072-39-9 SMILES|42072-39-9 (S)-(+)-3-Methyl-1-pentanol
Catalog No.: AA003CEG
42072-39-9,MFCD00135167
42072-39-9 | (S)-(+)-3-Methyl-1-pentanol
Pack Size： 250mg
Purity： 95%
in stock
$127.00 $89.00
Pack Size： 1g
Purity： 95%
in stock
$361.00 $253.00
Pack Size： 5g
Purity： 95%
in stock
$1,039.00 $727.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003CEG
Chemical Name: (S)-(+)-3-Methyl-1-pentanol
CAS Number: 42072-39-9
Molecular Formula: C6H14O
Molecular Weight: 102.1748
MDL Number: MFCD00135167
SMILES: OCC[C@H](CC)C
Properties
BP: 152 °C  
Form: Liquid  
Refractive Index: 8.7 ° (C=neat)  
Storage: 2-8℃;  
Complexity: 35.2  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.8  
Downstream Synthesis Route
42072-39-9    1730-92-3 

[1]TetrahedronAsymmetry,1999,vol.10,p.841-853

[2]Patent:US6417399,2002,B1

[3]Macromolecules,2005,vol.38,p.5860-5867

[4]GazzettaChimicaItaliana,1961,vol.91,p.441-457

[5]TetrahedronLetters,1995,vol.36,p.1571-1574

[6]Bioscience,BiotechnologyandBiochemistry,1999,vol.63,p.1209-1215

[7]Tetrahedron,1966,vol.22,p.1991-2001

1730-92-3    42072-39-9 

[1]Synlett,2005,p.2781-2785

[2]GazzettaChimicaItaliana,1961,vol.91,p.441-457

[3]TetrahedronLetters,2007,vol.48,p.1707-1709

[4]JournalofBiologicalChemistry,1931,vol.91,p.95    JournalofBiologicalChemistry,1936,vol.115,p.272

[5]AngewandteChemie-InternationalEdition,2018,vol.57,p.13829-13832    Angew.Chem.,2018,vol.130,p.14025-14028,4

[6]JournalofEnzymeInhibitionandMedicinalChemistry,2019,vol.34,p.1078-1082

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