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3780-58-3,MFCD00870847
Catalog No.:AA00C035

3780-58-3 | 3-METHYLHEXANOIC ACID

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1g
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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:
AA00C035
Chemical Name:
3-METHYLHEXANOIC ACID
CAS Number:
3780-58-3
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD00870847
SMILES:
CCCC(CC(=O)O)C
Properties
Computed Properties
 
Complexity:
88.9  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Rasetti[BulletindelaSocieteChimiquedeFrance,1905,vol.<3>33,p.691]

[1]Stetter;Meisel[ChemischeBerichte,1957,vol.90,p.2928,2930]

[1]Rasetti[BulletindelaSocieteChimiquedeFrance,1905,vol.<3>33,p.691]

[1]Sernagiotto[AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1915,vol.<5>24I,p.850][GazzettaChimicaItaliana,1915,vol.45II,p.81]

[1]Rasetti[BulletindelaSocieteChimiquedeFrance,1905,vol.<3>33,p.691]

Literature

Title: Divergence in wine characteristics produced by wild and domesticated strains of Saccharomyces cerevisiae.

Journal: FEMS yeast research 20111101

Title: Identification of fruity aroma-producing compounds from Chryseobacterium sp. isolated from the Western Ghats, India.

Journal: Current microbiology 20110801

Title: Characterization of the key aroma compounds in an american bourbon whisky by quantitative measurements, aroma recombination, and omission studies.

Journal: Journal of agricultural and food chemistry 20080723

Title: Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection.

Journal: Journal of agricultural and food chemistry 20070307

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SDS
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