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1129-65-3

1129-65-3 Structure

1129-65-3 Structure
IdentificationMore
[Name]

1-PHENYL-1-HEXYNE
[CAS]

1129-65-3
[Synonyms]

1-BUTYL-2-PHENYLACETYLENE
1-HEXYNYLBENZENE
1-PHENYL-1-HEXYNE
TIMTEC-BB SBB008962
1-Hexyne, 1-phenyl-
1-hexyne,1-phenyl-
benzene,1-hexynyl-
Butylphenylacetylene
n-Butyl phenyl acetylene
1-PHENYL-1-HEXYNE 98%
[Molecular Formula]

C12H14
[MDL Number]

MFCD00039969
[Molecular Weight]

158.24
[MOL File]

1129-65-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

229-232 °C(lit.)
[density ]

0.9 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5349(lit.)
[Fp ]

208 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[InChI]

1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3
[InChIKey]

VBRLZTLFLNZEPZ-UHFFFAOYSA-N
[SMILES]

CCCCC#Cc1ccccc1
[CAS DataBase Reference]

1129-65-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

2905.19.9090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

1-Phenyl-1-hexyne is an alkyne. Stereoselective hydrogenation of 1-phenyl-1-hexyne at 298K and atmospheric pressure of H2 over Pd catalysts supported on mesostructured silica is reported. Polymerization of 1-phenyl-1-hexyne by pentahalides of niobium and tanatalum has been reported. Electrolytically induced, base-catalyzed isomerization of 1-phenyl-1-hexyne to 1-phenyl-1, 2-hexadiene in dimethylformamide containing tetra-n-butylammonium perchlorate using glassy carbon rotating ring-disk electrode has been reported.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 44, p. 3444, 1979 DOI: 10.1021/jo01333a049
[General Description]

1-Phenyl-1-hexyne is an alkyne. Stereoselective hydrogenation of 1-phenyl-1-hexyne at 298K and atmospheric pressure of H2 over Pd catalysts supported on mesostructured silica is reported. Polymerization of 1-phenyl-1-hexyne by pentahalides of niobium and tanatalum has been reported. Electrolytically induced, base-catalyzed isomerization of 1-phenyl-1-hexyne to 1-phenyl-1, 2-hexadiene in dimethylformamide containing tetra-n-butylammonium perchlorate using glassy carbon rotating ring-disk electrode has been reported.
Spectrum DetailBack Directory
[Spectrum Detail]

1-PHENYL-1-HEXYNE(1129-65-3)MS
1-PHENYL-1-HEXYNE(1129-65-3)1HNMR
1-PHENYL-1-HEXYNE(1129-65-3)IR1
1-PHENYL-1-HEXYNE(1129-65-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1129-65-3(sigmaaldrich)
[TCI AMERICA]

1-Phenyl-1-hexyne,>98.0%(GC)(1129-65-3)
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