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1-Octyne

  • Name 1-Octyne
  • EINECS211-069-3
  • CAS No. 629-05-0
  • Density0.763 g/cm3
  • PSA0.00000
  • LogP2.59000
  • SolubilityMiscible with alcohol, ether and other organic solvents. Immiscible with water.
  • Melting Point-80 °C
  • FormulaC8H14
  • Boiling Point126.027 °C at 760 mmHg
  • Molecular Weight110.199
  • Flash Point17.778 °C
  • Transport InformationUN 3295 3/PG 2
  • Appearanceclear colourless to yellow liquid
  • Safety16-62-33-26
  • Risk Codes11-65-36/37/38
  • Molecular Structure
    Molecular Structure of 629-05-0 (1-Octyne)
  • Hazard SymbolsFlammableF,HarmfulXn,IrritantXi
  • SynonymsFlammableF,HarmfulXn,IrritantXi
  • Article Data64

1-Octyne Synthetic route

196302-07-5

oct-1-yn-3-yl benzoate

A

629-05-0

n-octyne

B

65-85-0

benzoic acid

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With 18-crown-6 ether; potassium tert-butylate In Petroleum ether at 80℃; for 8h;84%
16967-02-5

1-phenyl-1-octyne

536-74-3

phenylacetylene

629-05-0

n-octyne

Conditions
ConditionsYield
With potassium carbonate In ethanol at 80℃; for 8h; Sonogashira Cross-Coupling;80%
73642-95-2

2,2-dichloro-octane

A

2809-67-8

oct-2-yne

B

629-05-0

n-octyne

C

1072-19-1

octa-1,2-diene

Conditions
ConditionsYield
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%
139517-41-2

(E)-1,2-Bis(phenyltelluro)-1-octene

A

629-05-0

n-octyne

B

32294-60-3

diphenyl ditelluride

Conditions
ConditionsYield
In chloroform-d1 at 40℃; for 6h; Irradiation; other ditelluroalkenes;A 60%
B n/a
81216-13-9

8-bromo-1-octyne

A

39750-95-3

hexadeca-1,15-diyne

B

629-05-0

n-octyne

Conditions
ConditionsYield
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;

1-Octyne Chemical Properties

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
 

1-Octyne Toxicity Data With Reference

1.    

dns-ham:lvr 100 µmol/L

    CRNGDP    Carcinogenesis. 6 (1985),1201.

1-Octyne Consensus Reports

Reported in EPA TSCA Inventory.

1-Octyne 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): FlammableF,HarmfulXn,IrritantXi
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.

1-Octyne Specification

 1-Octyne ,its cas register number is 629-05-0. It also can be called Oct-1-in .

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