n-Propyl benzoate

Formula: C₁₀H₁₂O₂
Molecular weight: 164.2011
IUPAC Standard InChI: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
IUPAC Standard InChIKey: UDEWPOVQBGFNGE-UHFFFAOYSA-N
CAS Registry Number: 2315-68-6
Chemical structure:
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Other names: Propyl benzoate; Benzoic acid n-propyl ester; Benzoic acid, propyl ester; Benzoate de propyle; Propyl benzenecarboxylate
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Go To: Top, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	SE-30	SE-30	SE-30	SE-30
Column length (m)	30.	25.	25.	25.	25.
Carrier gas	He	N2	N2	N2	N2
Substrate
Column diameter (mm)	0.25	0.33	0.33	0.33	0.33
Phase thickness (μm)	0.25
T_start (C)	40.	100.	100.	100.	100.
T_end (C)	325.	310.	320.	320.	320.
Heat rate (K/min)	3.	6.	10.	2.	6.
Initial hold (min)
Final hold (min)
I	1237.2	1249.	1257.	1247.	1252.
Reference	Sun and Stremple, 2003	Korhonen, 1986	Korhonen and Lind, 1985	Korhonen and Lind, 1985	Korhonen and Lind, 1985
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

Sun and Stremple, 2003
Sun, G.; Stremple, P., Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]

Korhonen, 1986
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XLV. Retention Behaviour of C₁-C₁₂ n-Alkyl Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns, J. Chromatogr., 1986, 356, 285-299, https://doi.org/10.1016/S0021-9673(00)91489-4 . [all data]

Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C₁-C₁₂ n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 1985, 322, 83-96, https://doi.org/10.1016/S0021-9673(01)97661-7 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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