| Identification | More | [Name]
1-Octyne | [CAS]
629-05-0 | [Synonyms]
1-OCTYNE
1-0ctyne
Hexylacetylene
oct-1-yne
Octyne-1
1-Octyne (6CI, 8CI, 9CI)
1-Octyne,98+%
n-hexylacetylene
caprylidene
1-0ctin | [EINECS(EC#)]
211-069-3 | [Molecular Formula]
C8H14 | [MDL Number]
MFCD00009546 | [Molecular Weight]
110.2 | [MOL File]
629-05-0.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO YELLOW LIQUID | [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.)
| [Fp ]
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 | [Henry's Law Constant]
1.2×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) | [InChI]
1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3 | [InChIKey]
UMIPWJGWASORKV-UHFFFAOYSA-N | [SMILES]
CCCCCCC#C | [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]
629-05-0(EPA Substance) |
| Questions And Answer | Back Directory | [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.
|
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS08 | [Signal word ]
Danger | [Hazard statements ]
H225-H304 | [Precautionary statements ]
P210-P233-P240-P241-P301+P310-P331 | [Hazard Codes ]
F,Xn,Xi | [Risk Statements ]
R11:Highly Flammable.
R65:Harmful: May cause lung damage if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S33:Take precautionary measures against static discharges .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 3295 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
RI2655000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29012980 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Asp. Tox. 1
Flam. Liq. 2 | [Toxicity]
dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85 |
| Hazard Information | Back Directory | [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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Alfa Aesar
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400-6106006 |
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Energy Chemical
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www.energy-chemical.com |
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Maya High Purity Chemicals
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