1-Octyne Property

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

H304May be fatal if swallowed and enters airways

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P331Do NOT induce vomiting.

1-Octyne Chemical Properties,Usage,Production

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.

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.]