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: 2024-12-18 14:15:30
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 | n |
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. |
Computed Descriptors for 1-Octyne
1-Octyne manufacturer
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