4-Methyl-5-nonanone

Catalog Number	ACM35900266
CAS	35900-26-6
Structure
IUPAC Name	4-methylnonan-5-one
Synonyms	4-Methyl-5-nonanone;35900-26-6;4-methylnonan-5-one;5-Nonanone, 4-methyl-;MFCD00048807;ACMC-20amdn;4-methyl-nonan-5-one;SCHEMBL434439;DTXSID00885637;AMY19310;LMFA12000140;AKOS028110118;MCULE-7397658262;VZ29399;DB-048893;FT-0639290;(3R,4R)-(+)-1-Benzyl-3,4-pyrrolidindiol;J-640363;J-800367
Molecular Weight	156.26g/mol
Molecular Formula	C10H20O
Canonical SMILES	CCCCC(=O)C(C)CCC
InChI	InChI=1S/C10H20O/c1-4-6-8-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3
InChI Key	CGHJMKONNFWXHO-UHFFFAOYSA-N
Boiling Point	199.3ºC at 760 mmHg
Flash Point	69.9ºC
Purity	96%
Density	0.817 g/cm³
Application	4-Methyl-5-nonanone is a pheromone produced by male West Indian sugarcane borer (WISB).
Complexity	107
Covalently-Bonded Unit Count	1
Exact Mass	156.151415257g/mol
Hazard Statements	Xi
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Monoisotopic Mass	156.151415257g/mol
References	Ramirez-Lucas, P., et al.: Bioorg. Med. Chem., 4, 323 (1996); Perez, A., et al.: J. Chem. Ecol., 23, 869 (1997)
Rotatable Bond Count	6
Topological Polar Surface Area	17.1Å²
X Log P3	3.3

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