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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 | 17.1Ų |
| X Log P3 | 3.3 |
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