4-Methyl-1-pentyn-3-ol
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4-Methyl-1-pentyn-3-ol
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CAS No:
565-68-4
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Formula:
C6H10O
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Chemical Name:
4-Methyl-1-pentyn-3-ol
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Synonyms:
1-Pentyn-3-ol,4-methyl-;4-Methyl-1-pentyn-3-ol;1-Isopropylpropargyl alcohol;3-Hydroxy-4-methyl-1-pentyne;NSC 96446;2-Methyl-4-pentyn-3-ol;4-Methylpentyn-3-ol;73262-61-0
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CAS No:
Characteristics
20.23000
0.63650
0.8779 g/cm3 @ Temp: 20 °C
131-133 °C
41.9ºC
1.436
Slightly soluble in water.
Safety Information
III
UN 1987
R10
S23-S24/25
Xn
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 4 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:98.14
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:85.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes