ChemicalBook--->CAS DataBase List--->629-05-0

629-05-0

629-05-0 Structure

629-05-0 Structure
IdentificationMore
[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 PropertiesBack 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
[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)
Safety DataBack Directory
[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
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29012980
[Toxicity]

dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Octene, 1,1-dibromo--->trans-1-chloro-1-octene-->cis-1-bromo-1-octene-->trans-1-bromo-1-octene-->2-Bromo-1-octene
[Preparation Products]

METHYL 2-NONYNOATE-->Silane, trimethyl-1-octyn-1-yl--->5,7-DODECADIYNE-1,12-DIOL-->1,1-diethoxynonane-->2-NONYNE-->(Z)-3-decenol-->2,7-DIMETHYL-3,5-OCTADIYN-2,7-DIOL
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Octyne(629-05-0).msds
Hazard InformationBack 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.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Octyne(629-05-0)MS
1-Octyne(629-05-0)1HNMR
1-Octyne(629-05-0)13CNMR
1-Octyne(629-05-0)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Octyne, 99%(629-05-0)
[Alfa Aesar]

1-Octyne, 98%(629-05-0)
[Sigma Aldrich]

629-05-0(sigmaaldrich)
[TCI AMERICA]

1-Octyne,>95.0%(GC)(629-05-0)
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