3,3-Dimethyl-1-butyne
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3,3-Dimethyl-1-butyne
structure -
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CAS No:
917-92-0
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Formula:
C6H10
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Chemical Name:
3,3-Dimethyl-1-butyne
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Synonyms:
1-Butyne,3,3-dimethyl-;3,3-Dimethyl-1-butyne;3,3,3-Trimethylpropyne;tert-Butylacetylene;3,3-Dimethylbutyne;Neohexyne;tert-Butylethyne;3,3-Dimethylbut-1-yne
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CAS No:
Characteristics
0.00000
1.66570
Clear, colorless liquid.
0.6683 g/cm3 @ Temp: 20 °C
-78.2 °C
37.7 °C
-34ºC
1.373-1.375
Miscible with chloroform, benzene and toluene. Immiscible with water.
2-8ºC
7.88 psi ( 20 °C)
Safety Information
I
3
UN 3295
3
R12; R36/37/38
S3-S16-S26-S33-S7/9
Xi
Stable, but highly flammable. Readily forms explosive mixtures with air. Note low flash point.
|Danger|H224 (75%): Extremely flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 56 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,3-Dimethyl-1-butyne Use and Manufacturing
Tert-Butylethyne, is an organic building block used for the synthesis of various pharmaceutical compounds, such as Terbinafine Hydrochloride, which is a synthetic allylamine antifungal.
Computed Properties
Molecular Weight:82.14
XLogP3:2.2
Rotatable Bond Count:1
Exact Mass:82.078250319
Monoisotopic Mass:82.078250319
Heavy Atom Count:6
Complexity:73.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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