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817-91-4,MFCD00060841
Catalog No.:AA008LCD

817-91-4 | 1-Heptanol, 4-methyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
2 weeks  
$137.00   $96.00
- +
1g
97%
2 weeks  
$318.00   $223.00
- +
5g
97%
2 weeks  
$1,032.00   $723.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008LCD
Chemical Name:
1-Heptanol, 4-methyl-
CAS Number:
817-91-4
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
MDL Number:
MFCD00060841
SMILES:
CCCC(CCCO)C
Properties
Computed Properties
 
Complexity:
52.5  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Koller;Kandler[MonatsheftefurChemie,1931,vol.58,p.234]

[1]Levene;Marker[JournalofBiologicalChemistry,1933,vol.103,p.305]

[1]Casonetal.[JournaloftheAmericanChemicalSociety,1944,vol.66,p.1766]

[2]Shonleetal.[JournaloftheAmericanChemicalSociety,1936,vol.58,p.586]

[3]Hedenstroem,Erik;Nguyen,Ba-Vu;SilksIII,LouisA.[TetrahedronAsymmetry,2002,vol.13,#8,p.835-844]

[4]CurrentPatentAssignee:E.Lilly&Co.-US2066280,1934,A

[1]Weitzel;Wojahn[Hoppe-Seyler'sZeitschriftfurPhysiologischeChemie,1951,vol.287,p.65,88]

[1]Casey,C.P.;Cyr,C.R.[JournaloftheAmericanChemicalSociety,1973,vol.95,p.2240-2247]

[2]Hedenstroem,Erik;Nguyen,Ba-Vu;SilksIII,LouisA.[TetrahedronAsymmetry,2002,vol.13,#8,p.835-844]

[3]Weitzel;Wojahn[Hoppe-Seyler'sZeitschriftfurPhysiologischeChemie,1951,vol.287,p.65,88]

Literature

Title: Quantification of hexanal as an index of lipid oxidation in human milk and association with antioxidant components.

Journal: Journal of clinical biochemistry and nutrition 20111101

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SDS
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Tags:817-91-4 Molecular Formula|817-91-4 MDL|817-91-4 SMILES|817-91-4 1-Heptanol, 4-methyl-
Catalog No.: AA008LCD
817-91-4,MFCD00060841
817-91-4 | 1-Heptanol, 4-methyl-
Pack Size： 250mg
Purity： 97%
2 weeks
$137.00 $96.00
Pack Size： 1g
Purity： 97%
2 weeks
$318.00 $223.00
Pack Size： 5g
Purity： 97%
2 weeks
$1,032.00 $723.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA008LCD
Chemical Name: 1-Heptanol, 4-methyl-
CAS Number: 817-91-4
Molecular Formula: C8H18O
Molecular Weight: 130.2279
MDL Number: MFCD00060841
SMILES: CCCC(CCCO)C
Properties
Complexity: 52.5  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
817-91-4    859773-96-9 

[1]Koller;Kandler[MonatsheftefurChemie,1931,vol.58,p.234]

817-91-4    404582-37-2 

[1]Levene;Marker[JournalofBiologicalChemistry,1933,vol.103,p.305]

817-91-4    88467-55-4 

[1]Casonetal.[JournaloftheAmericanChemicalSociety,1944,vol.66,p.1766]

[2]Shonleetal.[JournaloftheAmericanChemicalSociety,1936,vol.58,p.586]

[3]Hedenstroem,Erik;Nguyen,Ba-Vu;SilksIII,LouisA.[TetrahedronAsymmetry,2002,vol.13,#8,p.835-844]

[4]CurrentPatentAssignee:E.Lilly&Co.-US2066280,1934,A

22084-69-1    817-91-4 

[1]Weitzel;Wojahn[Hoppe-Seyler'sZeitschriftfurPhysiologischeChemie,1951,vol.287,p.65,88]

3302-03-2    817-91-4 

[1]Casey,C.P.;Cyr,C.R.[JournaloftheAmericanChemicalSociety,1973,vol.95,p.2240-2247]

[2]Hedenstroem,Erik;Nguyen,Ba-Vu;SilksIII,LouisA.[TetrahedronAsymmetry,2002,vol.13,#8,p.835-844]

[3]Weitzel;Wojahn[Hoppe-Seyler'sZeitschriftfurPhysiologischeChemie,1951,vol.287,p.65,88]

Literature fold

Title: Quantification of hexanal as an index of lipid oxidation in human milk and association with antioxidant components.

Journal: Journal of clinical biochemistry and nutrition20111101

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