2-Methyl-3-pentanone

CAS No. 565-69-5

Formula: C6H12O
Basic Info

Ethyl isopropyl ketone, or 2-methyl-3-pentanone, is an aliphatic ketone with used as a reagent in organic chemistry and as a solvent.
Its fully fluorinated analog is known as Novec 1230 and is used in gaseous fire suppression.

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

3-Pentanone, 2-methyl-

2-methylpentan-3-one

expand collapse

Properties
Appearance & Physical State
Colorless clear liquid
Density
0.811 g/mL at 25ºC(lit.)
Boiling Point
113ºC(lit.)
Melting Point
<25ºC
Flash Point
57 °F
Refractive Index
n20/D 1.397(lit.)
Safety Info
Safety Statements
S9-S23
WGK Germany
3
Risk Statements
R11
HS Code
2914190090
RIDADR
UN 1224 3
Hazard Class
3.1
Packing Group
II
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : parameter in CDCl3
expand collapse
IR Spectrum IR : liquid film
expand collapse
Mass Spectrum Mass spectrum (electron ionization)
expand collapse
Analysis Methods
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
733.
Temperature Control
333.
Method
isothermal
Comments
&nbsp;
Reference
Hu, X.-F.Lu, C.-H.Yin, C.-S.Modeling Gas Chromatographic Retention Indices of Oxygen-containing Compounds by Novel Atom-type Topological IndicesChinese Journal of Chemical Physics2006, 19, 3, 243-247.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
OV-1
Retention index
733.
Temperature Control
333.
Method
isothermal
Comments
&nbsp;
Reference
Hu, X.-F.Lu, C.-H.Yin, C.-S.Modeling Gas Chromatographic Retention Indices of Oxygen-containing Compounds by Novel Atom-type Topological IndicesChinese Journal of Chemical Physics2006, 19, 3, 243-247.
Kovats' RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-54
Retention index
748.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; T<sub>end</sub>: 250. C
Reference
Rembold, H.Wallner, P.Nitz, S.Kollmannsberger, H.Drawert, F.Volatile components of chickpea (Cicer arietinum L.) seedJ. Agric. Food Chem.1989, 37, 3, 659-662.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
BP-1
Retention index
722.
Temperature Control
Method
temperature ramp
Comments
50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; T<sub>start</sub>: 60. C
Reference
Bianchini, A.Tomi, P.Bernardini, A.F.Morelli, I.Flamini, G.Cioni, P.L.Usai, M.Marchetti, M.A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy)Flavour Fragr. J.2003, 18, 6, 487-491.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
BP-1
Retention index
722.
Temperature Control
Method
temperature ramp
Comments
50. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 35. min; T<sub>start</sub>: 60. C
Reference
Bianchini, A.Tomi, P.Bernardini, A.F.Morelli, I.Flamini, G.Cioni, P.L.Usai, M.Marchetti, M.A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy)Flavour Fragr. J.2003, 18, 6, 487-491.
Synthesis Route

Related Compound Information

PRODUCTS
Coming Soon
SUPPLIERS
Coming Soon
BRANDING
Coming Soon