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3,3-Dimethyl-1-butyne

3,3-Dimethyl-1-butyne structure

3,3-Dimethyl-1-butyne 

structure
  • CAS No:

    917-92-0

  • Formula:

    C6H10

  • Chemical Name:

    3,3-Dimethyl-1-butyne

  • 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

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

colourless liquid

3,3-Dimethyl-1-butyne Basic Attributes

82.14360

82.14

213-035-3

DTXSID70238671

2942000000

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.

Drug Information

3,3-dimethyl-1-butyne

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

Material

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