5-Methyl-2-hexanol
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5-Methyl-2-hexanol
structure -
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CAS No:
627-59-8
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Formula:
C7H16O
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Chemical Name:
5-Methyl-2-hexanol
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Synonyms:
2-Hexanol,5-methyl-;5-Methyl-2-hexanol;(±)-5-Methyl-2-hexanol;1,4-Dimethyl-1-pentanol;111768-09-3
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CAS No:
Characteristics
20.23000
1.80340
0.8145 g/cm3 @ Temp: 20 °C
135-140 °C
151 °C
115 °F
n20/D 1.417(lit.)
Safety Information
III
3
UN 1987 3/PG 3
3
R10
S16
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:116.20
XLogP3:2
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:50.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
