3-Methyl-1-penten-4-yn-3-ol
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3-Methyl-1-penten-4-yn-3-ol
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CAS No:
3230-69-1
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Formula:
C6H8O
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Chemical Name:
3-Methyl-1-penten-4-yn-3-ol
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Synonyms:
1-Penten-4-yn-3-ol,3-methyl-;3-Methyl-1-penten-4-yn-3-ol;Ethynylmethylvinylcarbinol;3-Methyl-4-penten-1-yn-3-ol;2-Vinyl-3-butyn-2-ol;NSC 44005
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CAS No:
Characteristics
20.23000
0.67
colorless to yellowish transparent liquid
0.9112 g/cm3 @ Temp: 20 °C
25°C (estimate)
65 °C @ Press: 22 Torr
29.2±14.1 °C
1.468
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
Safety Information
UN 1760 8/PG 2
1
R22;R36/37/38
S36-S37/39-S26
SB4950000
Xn:Harmful;
Stable under normal temperatures and pressures.
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501
H226
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 44 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:96.13
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:96.057514874
Monoisotopic Mass:96.057514874
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:117
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes