Acetic acid, pentyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: PGMYKACGEOXYJE-UHFFFAOYSA-N
- CAS Registry Number: 628-63-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: n-Amyl acetate; n-Pentyl acetate; Amyl acetate; Birnenoel; Pentyl acetate; Acetic acid, amyl ester; Amyl acetic ester; Amyl acetic ether; Banana oil; Pear oil; Pent-acetate; 1-Pentanol acetate; 1-Pentyl acetate; Acetic acid n-amyl ester; n-Pentyl ethanoate; Acetate d'amyle; Amylazetat; Octan amylu; Pent-acetate 28; Amylester kyseliny octove; Primary amyl acetate; Pentyl ester of acetic acid; Acetic acid, n-pentyl ester; 1-Acetoxypentane; NSC 7923
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Van Den Dool and Kratz RI, polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax Etr | CP-Wax 52CB | Supelcowax-10 | DB-Wax | ZB-Wax |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.15 |
Tstart (C) | 40. | 40. | 60. | 40. | 35. |
Tend (C) | 250. | 250. | 240. | 250. | 220. |
Heat rate (K/min) | 5. | 4. | 3. | 3. | 5. |
Initial hold (min) | 3. | 5. | 3. | 5. | |
Final hold (min) | 15. | 10. | 20. | 10. | |
I | 1152. | 1176. | 1193. | 1175. | 1169. |
Reference | Aubert and Chanforan, 2007 | Kourkoutas, Elmore, et al., 2006 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Aubert and Bourger, 2004 | Ledauphin, Saint-Clair, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | AT-Wax | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.425 | 0.25 | 0.25 | |
Tstart (C) | 65. | 45. | 40. | 50. | 50. |
Tend (C) | 250. | 300. | 200. | 250. | 250. |
Heat rate (K/min) | 2. | 3. | 3. | 4. | 4. |
Initial hold (min) | 10. | 3. | 5. | 3. | 3. |
Final hold (min) | 60. | 20. | |||
I | 1161. | 1167. | 1176. | 1179. | 1181. |
Reference | Pino, Marbot, et al., 2001 | Mondello, Dugo, et al., 1995 | Sumitani, Suekane, et al., 1994 | Fröhlich, Duque, et al., 1989 | Fröhlich, Duque, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | CP-WAX 57CB | OV-351 | Carbowax 20M |
Column length (m) | 50. | 25. | |
Carrier gas | N2 | ||
Substrate | Celite 545 | ||
Column diameter (mm) | 0.32 | 0.32 | |
Phase thickness (μm) | |||
Tstart (C) | 60. | 50. | 75. |
Tend (C) | 200. | 228. | |
Heat rate (K/min) | 4. | 6. | 4.6 |
Initial hold (min) | 5. | ||
Final hold (min) | |||
I | 1167. | 1152. | 1169. |
Reference | Salter L.J., Mottram D.S., et al., 1988 | Korhonen, 1984 | van den Dool and Kratz, 1963 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aubert and Chanforan, 2007
Aubert, C.; Chanforan, C.,
Postharvest Changes in Physicochemical Properties and Volatile Constituents of Apricot (Prunus armeniaca L.). Characterization of 28 Cultivars,
J. Agric. Food Chem., 2007, 55, 8, 3074-3082, https://doi.org/10.1021/jf063476w
. [all data]
Kourkoutas, Elmore, et al., 2006
Kourkoutas, D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the volatile compositions and flavour properties of cantaloupe, Galia and honeydew muskmelons,
Food Chem., 2006, 97, 1, 95-102, https://doi.org/10.1016/j.foodchem.2005.03.026
. [all data]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Aubert and Bourger, 2004
Aubert, C.; Bourger, N.,
Investigation of volatiles in charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars,
J. Agric. Food Chem., 2004, 52, 14, 4522-4528, https://doi.org/10.1021/jf049777s
. [all data]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K.,
Changes in composition of volatile compounds in high pressure treated peach,
J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037
. [all data]
Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P.,
Volatile constituents of curuba (Passiflora mollissima) fruit,
J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033
. [all data]
Salter L.J., Mottram D.S., et al., 1988
Salter L.J.; Mottram D.S.; Whitfield,
Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid,
J. Sci. Food Agric., 1988, 46, 2, 227-242, https://doi.org/10.1002/jsfa.2740460211
. [all data]
Korhonen, 1984
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XXVI. Separation of Unsaturated Alcohols and Their Acetyl and Haloacetyl Derivatives on Capillary Columns Coated with SE-30 and OV-351,
J. Chromatogr., 1984, 288, 329-346, https://doi.org/10.1016/S0021-9673(01)93710-0
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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