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3-Methyl-1-butyne

3-Methyl-1-butyne structure

CAS No:
598-23-2
Formula:
C5H8
Chemical Name:
3-Methyl-1-butyne
Synonyms:
1-Butyne,3-methyl-;3-Methyl-1-butyne;Isopentyne;Isopropylacetylene;2-Methyl-3-butyne;3-Methylbutyne;3,3-Dimethyl-1-propyne;1-Isopentyne;Isopropylethyne
Categories:
Chemical Reagents > Organic Reagents

Description

Clear colorless to slightly yellow liquid

3-methyl-1-butyne is a terminal acetylenic compound that is but-1-yne substituted by a methyl group at position 3. It has a role as a metabolite. It is a terminal acetylenic compound and an alkyne. It derives from a hydride of a but-1-yne.

3-Methyl-1-butyne Basic Attributes

Molecular Weight：

68.12

Exact Mass：

68.12

EC Number：

209-925-6

DSSTox ID：

DTXSID40208528

HScode：

29012990

Characteristics

PSA：

XLogP3：

1.88

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.666 g/cm³ @ Temp: 19 °C

Melting Point：

-89.7 °C

Boiling Point：

26.3 °C

Flash Point：

-30°(-22°F)

Refractive Index：

1.398

Water Solubility：

Miscible with alcohol. Immiscible with water.

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

3295

wgk germany：

hazard class code：

11-12

safety instructions：

3/7-9-16-33

RTECS Number：

PF9060500

Marks：

F+

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H224

GHS Classification：

|Danger|H224 (97.5%): Extremely flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:68.12
XLogP3:1.7
Exact Mass:68.062600255
Monoisotopic Mass:68.062600255
Heavy Atom Count:5
Complexity:51.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes