1-Octyne

CAS NO.：629-05-0
Empirical Formula: C8H14
Molecular Weight: 110.2
MDL number: MFCD00009546
EINECS: 211-069-3
SAFETY DATA SHEET (SDS)
Update Date: 2023-05-25 18:01:21

What is 1-Octyne?

Chemical properties

CLEAR COLOURLESS TO YELLOW LIQUID

The Uses of 1-Octyne

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.]

Properties of 1-Octyne

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
color	Clear colorless to yellow
Specific Gravity	0.746
explosive limit	0.8%(V)
Water Solubility	Miscible with alcohol, ether and other organic solvents. Immiscible with water.
BRN	1734494
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 for 1-Octyne

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Health Hazard GHS08
GHS Hazard Statements	H225:Flammable liquids H304:Aspiration hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.