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520-74-1

520-74-1 Structure

520-74-1 Structure
IdentificationBack Directory
[Name]

Agropyrene
[CAS]

520-74-1
[Synonyms]

Capillen
Agropyrene
1-Phenyl-2,4-hexadiyne
6-Phenyl-2,4-hexadiyne
Benzene, 2,4-hexadiyn-1-yl-
[Molecular Formula]

C12H10
[MOL File]

520-74-1.mol
[Molecular Weight]

154.21
Chemical PropertiesBack Directory
[Melting point ]

0-1 °C
[Boiling point ]

140-143 °C(Press: 10 Torr)
[density ]

0.9744 g/cm3
[Odor]

sweet anise methyl chavicol
Hazard InformationBack Directory
[Chemical Properties]

Almost colorless or pale yellowish crystals, or pale yellowish liquid. Poorly soluble in alcohol, miscible with essential oils and most perfume chemicals. Very unstable under UV-light or plain daylight. Oxidizes easily, and turns darker yellow. Peculiar sweet-medicinal odor, reminiscent of Anise, Estragon, etc. with a herbaceousminty note, quite tenacious.
[Uses]

Could find some use in perfumes and flavors, if it were made commercially available. Agropyrene constitutes more than 9000 of the essential oil of Agropyrum repens (Couchgrass).
[Definition]

ChEBI: Capillene is a member of benzenes.
[Synthesis]

Agropyrene can be produced synthetically via the ketone Capillin made from Benzaldehyde plus Pentadiyne, followed by oxidation. Also from Phenylacetaldehyde plus Methylethylketone followed by dehydration.
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