4-methylpent-2-yne

CAS No. 21020-27-9

Formula: C6H10
Basic Info

Formula
C6H10
Molecular Weight
82.1436
Exact Mass
82.0783
LogP
1.6657
PSA
0
Synonyms

2-Pentyne, 4-methyl-

2-methyl-4-pentyne

1-isopropyl-2-methylacetylene

methylisopropylacetylene

2-Pentyne,4-methyl

Isopropylmethylacetylene

4-Methyl-2-pentyne

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Properties
Density
0.738g/cm3
Boiling Point
70.3ºC at 760mmHg
Melting Point
110ºC
Refractive Index
n20/D 1.407(lit.)
Storage Condition
Flammables area
Vapor Pressure
141mmHg at 25°C
Safety Info
Safety Statements
S16-S23-S24/25
HS Code
2901299090
RIDADR
UN 3295 3/PG 2
Caution Statement
P210
Hazard Declaration
Caution Statement
Spectrum
NMR Spectrum 1H NMR : 400 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
Squalane
Retention index
594.
Temperature Control
80.
Method
isothermal
Comments
107. m/0.25 mm/0.40 μm, H2
Reference
Soják, L.Farkas, P.Ostrovský, I.Janák, J.Chrétien, J.R.Capillary gas chromatography of C5 - C13 branched alkynes on squalane and liquid crystal stationary phasesJ. Chromatogr.1991, 557, 241-253.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
Methyl Silicone
Retention index
615.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Zenkevich, I.G.Marinichev, A.N.Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian)Zh. Struct. Khim.2001, 42, 5, 893-902.
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