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105-29-3

105-29-3 Structure

105-29-3 Structure
IdentificationBack Directory
[Name]

3-Methyl-2-penten-4-yn-1-ol
[CAS]

105-29-3
[Synonyms]

1-Pentol
3-methyl-2-penten-4-yn-1-o
3-Methylpenten-2-in-4-ol-1
3-methylpent-2-en-4-yn-1-ol
3-Methyl-2-penten-4-yn-1-ol
2-Penten-4-yn-1-ol,3-methyl-
1-Hydroxy-3-methyl-2-penten-4-yne
[EINECS(EC#)]

203-284-6
[Molecular Formula]

C6H8O
[MDL Number]

MFCD00042661
[MOL File]

105-29-3.mol
[Molecular Weight]

96.13
Chemical PropertiesBack Directory
[Melting point ]

25°C
[Boiling point ]

144.66°C (rough estimate)
[density ]

0.9253 (estimate)
[refractive index ]

1.4460 (estimate)
[pka]

14.22±0.10(Predicted)
[EPA Substance Registry System]

2-Penten-4-yn-1-ol, 3-methyl- (105-29-3)
Safety DataBack Directory
[RIDADR ]

2705
[HazardClass ]

8
[PackingGroup ]

II
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Description]

3-Methyl-2-penten-4-yn-1-ol, also known as C6 alcohol or 3-methylpent-2-en-4-yn-1-ol, is a derivative of methyl vinyl ketone and acetylene. (Z)-3-Methyl-2-penten-4-yn-1-ol is a pharmaceutical intermediate for the production of vitamin A. Its stereoisomer, (Z)-3-methyl-2-penten-4-yn-1-ol, is also a useful intermediate for the manufacture of astaxanthin, zeaxanthin and further carotenoids.
[Chemical Properties]

3-Methyl-2-penten-4-yn-1-ol has cis and trans isomers. E type: oily liquid, boiling point 165-167℃, relative density 0.922, refractive index 1.4850, flash point 65℃; Z type: oily liquid, boiling point 89-92℃/4kPa, relative density 0.897, refractive index 1.4930, flash point 75 °C. Both isomers are easy to polymerize, and they will explode when heated to above 120°C in a sealed tube.
[Uses]

Used as intermediate of vitamin A acetate.
[Synthesis]

3-Methyl-2-penten-4-yn-1-ol is synthesized by allyl rearrangement fo methyl vinyl ethynyl methanol at 80°C under moderate acid.
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