Butanoic acid, 3-Methyl-, 1-Methylbutyl ester
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Butanoic acid, 3-Methyl-, 1-Methylbutyl ester
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CAS No:
117421-34-8
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Formula:
C10H20O2
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Chemical Name:
Butanoic acid, 3-Methyl-, 1-Methylbutyl ester
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Synonyms:
2-Pentyl 3-methylbutanoate;Butanoic acid, 3-methyl-, 1-methylbutyl ester;2-Pentanol, 3-methylbutanoate;pentan-2-yl 3-methylbutanoate;ACMC-20bkn8;1-methylbutyl-3-methylbutanoate;Isovaleric acid sec-pentyl ester;SCHEMBL14763891;CTK0C4778;DTXSID60336175
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CAS No:
Butanoic acid, 3-Methyl-, 1-Methylbutyl ester Use and Manufacturing
Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Computed Properties
Molecular Weight:172.26
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:130
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Butanoic acid, 3-Methyl-, 1-Methylbutyl ester
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