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| CAS No.: | 629-05-0 |
|---|---|
| Name: | 1-Octyne |
| Molecular Structure: | |
|
|
|
| Formula: | C8H14 |
| Molecular Weight: | 110.199 |
| Synonyms: | 1-Octine(3CI);Hexylacetylene;n-Hexylacetylene; |
| EINECS: | 211-069-3 |
| Density: | 0.763 g/cm3 |
| Melting Point: | -80 °C |
| Boiling Point: | 126.027 °C at 760 mmHg |
| Flash Point: | 17.778 °C |
| Solubility: | Miscible with alcohol, ether and other organic solvents. Immiscible with water. |
| Appearance: | clear colourless to yellow liquid |
| Hazard Symbols: |
 F, Xn, Xi
|
| Risk Codes: | 11-65-36/37/38 |
| Safety: | 16-62-33-26 |
| Transport Information: | UN 3295 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.59000 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| tris(2,2'-bipyridine)nickel(II) tetrafluoroborate In N,N-dimethyl-formamide Ambient temperature; electrolysis; | A 55% B 97% |
- 152212-49-2, 152212-73-2
1,2-dibromooctane
- 629-05-0
n-octyne
| Conditions | Yield |
|---|---|
| With potassium hydroxide; tetraoctyl ammonium bromide In Petroleum ether at 90℃; for 6h; | 95% |
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h; without <18>krone-6; | 92% |
| With tetrabutylammomium bromide; potassium hydroxide In water at 150℃; for 10h; | 90% |
- 42843-49-2
(Z)-1-bromo-1-octene
- 629-05-0
n-octyne
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 25℃; for 2h; | 92% |
- 13249-60-0
2-bromo-1-octene
- 629-05-0
n-octyne
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 1h; | 90% |
| With 1,2,4-Trimethylbenzene; sodium amide at 150℃; | |
| With ammonia; sodium amide |
- 51751-87-2
(E)-1-bromo-1-octene
- 629-05-0
n-octyne
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 60℃; for 2h; | 90% |
- 21948-46-9, 72778-28-0
1,2-dichlorooctane
- 629-05-0
n-octyne
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 80℃; for 8h; | 84% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In ethanol at 80℃; for 8h; Sonogashira Cross-Coupling; | 80% |
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 80℃; for 12h; Title compound not separated from byproducts; | A 15% B 62% C 7% |
| Conditions | Yield |
|---|---|
| In chloroform-d1 at 40℃; for 6h; Irradiation; other ditelluroalkenes; | A 60% B n/a |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Yield given. Multistep reaction; | A 28% B n/a |
| With hydrogenchloride; sodium peroxide; magnesium 1.) 22 deg C, 30 min, diethyl ether; Yield given. Multistep reaction; |
- Total:14 Page 1 of 1 1
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Chemistry
Empirical Formula: C8H14
Molecular Weight: 110.1968 g/mol
EINECS: 211-069-3
Index of Refraction: 1.425
Density: 0.763 g/cm3
Flash Point: 17.8 °C
Enthalpy of Vaporization: 35.83 kJ/mol
Boiling Point: 126 °C at 760 mmHg
Vapour Pressure: 14.4 mmHg at 25°C
Melting point: -80 °C
Storage tempreture: Flammables area
Appearance: Clear colourless to yellow liquid
Structure of 1-Octyne (CAS NO.629-05-0):
IUPAC Name: Oct-1-yne
Product Categories of 1-Octyne (CAS NO.629-05-0): Miscellaneous;Alkynes;Acetylenic Hydrocarbons;Organic Building Blocks;Terminal
Toxicity Data With Reference
| 1. | dns-ham:lvr 100 µmol/L | CRNGDP Carcinogenesis. 6 (1985),1201. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Hazard Codes of 1-Octyne (CAS NO.629-05-0): 
F,
Xn,
Xi
Risk Statements: 11-65-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
R65:Harmful: may cause lung damage if swallowed.
Safety Statements: 16-62-33-26
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S33:Take precautionary measures against static discharges.
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
Specification
1-Octyne ,its cas register number is 629-05-0. It also can be called Oct-1-in .