3,3-dimethylbutanal

CAS No. 2987-16-8

Formula: C6H12O
Basic Info

Formula
C6H12O
Molecular Weight
100.159
Exact Mass
100.089
LogP
1.6215
PSA
17.07
Synonyms

3,3-dimethylbutylaldehyde

Butanal,3,3-dimethyl

tert-Butylacetaldehyde

3,3-Dimethylbutanal

3,3-DiMethyl-Butanal

3,3-DiMethylbutyraldehyde

3,3-dimethyl-butyraldehyde

EINECS 221-054-3

3-methyl-i-pentanal

3,3-Dimethylbutanal,tert-Butylacetaldehyde

expand collapse

Properties
Appearance & Physical State
Colourless Lipuid
Density
0.798
Boiling Point
104-106ºC
Flash Point
51
Refractive Index
1.397
Vapor Pressure
23.4mmHg at 25°C
Safety Info
Safety Statements
S16-S23
WGK Germany
3
Risk Statements
R11; R36/37/38
HS Code
2912190090
RIDADR
UN 1989
Hazard Class
3.1
Packing Group
II
Hazard Codes
Spectrum
NMR Spectrum Predict 1H proton NMR
expand collapse
Analysis Methods
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
697.02
Temperature Control
110.
Method
isothermal
Comments
50. m/0.32 mm/1.05 μm
Reference
Héberger, K.Görgényi, M.Kowalska, T.Temperature dependence of Kováts indices in gas chromatography revisitedJ. Chromatogr. A2002, 973, 1-2, 135-142.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
687.24
Temperature Control
30.
Method
isothermal
Comments
50. m/0.32 mm/1.05 μm
Reference
Héberger, K.Görgényi, M.Kowalska, T.Temperature dependence of Kováts indices in gas chromatography revisitedJ. Chromatogr. A2002, 973, 1-2, 135-142.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
689.09
Temperature Control
50.
Method
isothermal
Comments
50. m/0.32 mm/1.05 μm
Reference
Héberger, K.Görgényi, M.Kowalska, T.Temperature dependence of Kováts indices in gas chromatography revisitedJ. Chromatogr. A2002, 973, 1-2, 135-142.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
691.42
Temperature Control
70.
Method
isothermal
Comments
50. m/0.32 mm/1.05 μm
Reference
Héberger, K.Görgényi, M.Kowalska, T.Temperature dependence of Kováts indices in gas chromatography revisitedJ. Chromatogr. A2002, 973, 1-2, 135-142.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-1
Retention index
694.01
Temperature Control
90.
Method
isothermal
Comments
50. m/0.32 mm/1.05 μm
Reference
Héberger, K.Görgényi, M.Kowalska, T.Temperature dependence of Kováts indices in gas chromatography revisitedJ. Chromatogr. A2002, 973, 1-2, 135-142.

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