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1-Octyne

1-Octyne structure

CAS No:
629-05-0
Formula:
C8H14
Chemical Name:
1-Octyne
Synonyms:
1-Octyne;1-Octine;Hexylacetylene;n-Hexylacetylene;1-Ethynylhexane
Categories:
Chemical Reagents > Organic Reagents

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Description

CLEAR COLOURLESS TO YELLOW LIQUID

1-Octyne Basic Attributes

Molecular Weight：

110.2

Exact Mass：

110.20

BRN：

1734494

EC Number：

211-069-3

DSSTox ID：

DTXSID9060863

HScode：

29012980

Characteristics

PSA：

XLogP3：

3.65

Appearance：

Clear colorless to yellow Liquid

Density：

0.7680 g/cm³ @ Temp: 13 °C

Melting Point：

-79.3 °C

Boiling Point：

126.3 °C

Flash Point：

64 °F

Refractive Index：

1.425

Water Solubility：

Miscible with alcohol, ether and other organic solvents. Immiscible with water.

Storage Conditions：

Flammables area

Vapor Pressure：

37.7 mm Hg ( 37.7 °C)

Toxicity：

dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85

Flammability characteristics：

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

Explosive limit：

0.8%(V)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

11-65-36/37/38

safety instructions：

16-62-33-26

RTECS Number：

RI2655000

Marks：

F,Xn,Xi

Storage features：

Storehouse ventilated at low temperature and dry; stored separately from oxidant; should not be stored for a long time to prevent polymerization

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 46 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-octyne

1-Octyne Use and Manufacturing

Manufacturing Info：

1-Octyne: ACTIVE

Computed Properties

Molecular Weight:110.20
XLogP3:3.5
Rotatable Bond Count:4
Exact Mass:110.109550447
Monoisotopic Mass:110.109550447
Heavy Atom Count:8
Complexity:73.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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