4-Hexen-3-ol
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4-Hexen-3-ol
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CAS No:
4798-58-7
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Formula:
C6H12O
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Chemical Name:
4-Hexen-3-ol
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Synonyms:
4-Hexen-3-ol;2-Hexen-4-ol;α-Ethyl-γ-methylallyl alcohol;1-Ethyl-3-methylallyl alcohol;NSC 93799
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CAS No:
Characteristics
20.2
1.33340
0.8409 g/cm3 @ Temp: 25 °C
22.55°C (estimate)
85-87 °C @ Press: 118 Torr
40.7ºC
1.44
36.7g/L(25 ºC)
Safety Information
III
3.2
UN 1987
10
23-24/25
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 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:100.16
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:100.088815002
Monoisotopic Mass:100.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:57.2
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes