Isopropyl Benzoate

CAS No. 939-48-0

Formula: C10H12O2
Basic Info

Formula
C10H12O2
Molecular Weight
164.201
Exact Mass
164.084
LogP
2.2518
PSA
26.3
Synonyms

propan-2-yl benzoate

Benzoic acid, 1-methylethyl ester

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Properties
Density
1.021g/cm3
Boiling Point
221.5ºC at 760mmHg
Melting Point
-26.4ºC
Flash Point
93ºC
Refractive Index
1.499
Safety Info
RTECS
DH3150000
HS Code
2916310090
Spectrum
NMR Spectrum 13C NMR : in CDCl3
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IR Spectrum IR : CCl4 solution
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Mass Spectrum Mass spectrum (electron ionization)
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1223.
Temperature Control
140.
Method
isothermal
Comments
N2; Column length: 25. m; Column diameter: 0.22 mm
Reference
Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XLVII. Retention Increments of Some Lower Saturated Branched-Chain, Unsaturated and Chlorinated Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary ColumnsJ. Chromatogr.1986, 360, 63-78.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1172.
Temperature Control
160.
Method
isothermal
Comments
N2; Column length: 25. m; Column diameter: 0.22 mm
Reference
Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XLVII. Retention Increments of Some Lower Saturated Branched-Chain, Unsaturated and Chlorinated Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary ColumnsJ. Chromatogr.1986, 360, 63-78.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1185.
Temperature Control
180.
Method
isothermal
Comments
N2; Column length: 25. m; Column diameter: 0.22 mm
Reference
Korhonen, I.O.O.Gas-Liquid Chromatographic Analyses. XLVII. Retention Increments of Some Lower Saturated Branched-Chain, Unsaturated and Chlorinated Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary ColumnsJ. Chromatogr.1986, 360, 63-78.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1192.
Temperature Control
140.
Method
isothermal
Comments
N2; Column length: 25. m; Column diameter: 0.32 mm
Reference
Korhonen, I.O.O.Lind, M.A.Gas-liquid chromatographic analyses. XXXVII. Capillary column studies of benzoyl and monochlorobenzoyl esters of lower saturated branched-chain alcoholsJ. Chromatogr.1985, 323, 2, 331-342.
Kovats' RI, non-polar column, isothermal
expand collapse
Column Shape
Capillary
Active Phase(℃)
SE-30
Retention index
1194.
Temperature Control
160.
Method
isothermal
Comments
N2; Column length: 25. m; Column diameter: 0.32 mm
Reference
Korhonen, I.O.O.Lind, M.A.Gas-liquid chromatographic analyses. XXXVII. Capillary column studies of benzoyl and monochlorobenzoyl esters of lower saturated branched-chain alcoholsJ. Chromatogr.1985, 323, 2, 331-342.

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