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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)
Questions And AnswerBack 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 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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