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4-Octyne

4-Octyne structure

CAS No:
1942-45-6
Formula:
C8H14
Chemical Name:
4-Octyne
Synonyms:
4-Octyne;Dipropylacetylene;1,2-Dipropylacetylene;Dipropylethyne;1402855-94-0
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

4-Octyne Basic Attributes

Molecular Weight：

110.2

Exact Mass：

110.20

EC Number：

217-730-2

UNII：

IJI0Q2V1Z6

DSSTox ID：

DTXSID6074338

HScode：

29012990

Characteristics

PSA：

XLogP3：

3.59

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.7521 g/cm³ @ Temp: 20 °C

Melting Point：

-101 °C

Boiling Point：

131.6 °C

Flash Point：

85 °F

Refractive Index：

n 20/D 1.425(lit.)

Water Solubility：

Sparingly soluble in water( 29.1 mg/L).

Storage Conditions：

0-6°C

Vapor Pressure：

35 mm Hg ( 37.7 °C)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

10-36/37/38-65

safety instructions：

26-62

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (91.11%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Octyne Use and Manufacturing

Manufacturing Info：

4-Octyne: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:110.20
XLogP3:3.4
Rotatable Bond Count:2
Exact Mass:110.109550447
Monoisotopic Mass:110.109550447
Heavy Atom Count:8
Complexity:79.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes