4-METHYL-2-HEXANOL
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4-METHYL-2-HEXANOL
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CAS No:
2313-61-3
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Formula:
C7H16O
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Chemical Name:
4-METHYL-2-HEXANOL
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Synonyms:
4-Methyl-2-hexanol;4-methylhexan-2-ol;2-Hexanol, 4-methyl-;SCHEMBL92017;DTXSID90880737;AKOS011898638;MCULE-8942040299;FT-0729621;(2R,2S,4S)-(+)-4-METHYL-2-HEXANOL
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CAS No:
Characteristics
20.23000
1.80340
0.816g/cm3
-30.45°C (estimate)
152.7ºC at 760mmHg
51.6ºC
1.418
1.28mmHg at 25°C
Computed Properties
Molecular Weight:116.20
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:116.120115130
Monoisotopic Mass:116.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:52.3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes