1-Octyne Chemical Properties

Melting point:

-80 °C (lit.)

Boiling point:

127-128 °C (lit.)

Density 

0.747 g/mL at 25 °C (lit.)

vapor pressure 

37.7 mm Hg ( 37.7 °C)

refractive index 

n20/D 1.416(lit.)

Flash point:

64 °F

storage temp. 

Flammables area

solubility 

0.024g/l

form 

Liquid

Specific Gravity

0.746

color 

Clear colorless to yellow

explosive limit

0.8%(V)

Water Solubility 

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

BRN 

1734494

LogP

3.717 (est)

CAS DataBase Reference

629-05-0(CAS DataBase Reference)

NIST Chemistry Reference

1-Octyne(629-05-0)

EPA Substance Registry System

1-Octyne (629-05-0)

Safety Information

Hazard Codes 

F,Xn,Xi

Risk Statements 

11-65-36/37/38

Safety Statements 

16-62-33-26

RIDADR 

UN 3295 3/PG 2

WGK Germany 

3

RTECS 

RI2655000

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29012980

Toxicity

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

MSDS

• Language:English Provider:1-Octyne
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1-Octyne Usage And Synthesis

Odor

1-Octyne's volatility puts it into a class of "lifting" materials, but its odor type is not exactly desirable. It is ethereal and sweet, of very poor tenacity, warm and remotely resembling the odor of Myrcene in its warm spiciness.

Chemical Properties

CLEAR COLOURLESS TO YELLOW LIQUID

Uses

1-Octyne is widely used in organic reactions such as halogenation, hydration, oxidative cleavage, hydrogenation, hydrohalogenation, nitrile formation, polymerization and substitution reactions. It is used a precursor for the preparation of monohalogen substituted akenes or dihalogen substituted alkanes on treated with hydrogen halides.

Safety Profile

Mutation data reported. Whenheated to decomposition it emits acrid smoke andirritating vapors.

Synthesis

The two synthesis methods of 1-Octyne: 1) from Methyl hexyl ketone and Phosphorous pentachloride followed by hydrolysis and treatment with Sodamide. 2)by Bromination of n-Octene (commercially available) followed by debromination of the Dibromo octane with dry Potassium hydroxide in mineral oil.

Purification Methods

Distil I-octyne from NaBH4 to remove peroxides. Fractionate it through a 10inch Widmer column (p 11) at 125-126o/759mm [Sletzinger & Dawson J Org Chem 14 853 1949.] [Beilstein 1 III 1005, 1 IV 1034.]

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