Heptanoic acid, ethyl ester
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChIKey: TVQGDYNRXLTQAP-UHFFFAOYSA-N
- CAS Registry Number: 106-30-9
- 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. - Other names: Aether oenanthicus; Cognac oil; Enanthylic ether; Ethyl enanthate; Ethyl heptanoate; Ethyl heptoate; Ethyl heptylate; Ethyl n-heptanoate; Ethyl oenanthate; Ethyl oenanthylate; Grape oil; Oenanthic ether; Oleum vitis viniferae; Wine oil; Enanthic acid ethyl ester; Ethyl ester of heptanoic acid; NSC 8891; ethyl enantate
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Van Den Dool and Kratz RI, non-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 | SPB-5 | SPB-5 | DB-5 | HP-5 | HP-5 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 1. | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 50. | 50. | 50. |
Tend (C) | 220. | 230. | 290. | 250. | 250. |
Heat rate (K/min) | 20. | 3. | 10. | 4. | 4. |
Initial hold (min) | 2. | 2. | 1. | 5. | 5. |
Final hold (min) | 2. | 10. | 10. | 15. | 15. |
I | 1098. | 1096. | 1085. | 1093. | 1091. |
Reference | Balbontin, Gaete-Eastman, et al., 2007 | Engel and Ratel, 2007 | Bylaite and Meyer, 2006 | Mahattanatawee, Goodner, et al., 2005 | Mahattanatawee, Goodner, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | HP-5 | CP Sil 5 CB | CP Sil 5 CB | DB-5 |
Column length (m) | 30. | 30. | 60. | 50. | 30. |
Carrier gas | He | N2 | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.4 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 250. | 220. | 280. | 280. | 240. |
Heat rate (K/min) | 4. | 5. | 3. | 3. | 3. |
Initial hold (min) | 2. | 10. | 10. | 10. | |
Final hold (min) | 20. | 60. | 60. | ||
I | 1095. | 1099. | 1081. | 1082. | 1093. |
Reference | Pino, Mesa, et al., 2005 | Emilio Tomei, Manganelli, et al., 2003 | Pino, Almora, et al., 2003 | Pino, Marbot, et al., 2002 | Nogueira, Bittrich, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | DB-5 | DB-5 | SE-30 | SE-30 |
Column length (m) | 50. | 30. | 30. | 25. | |
Carrier gas | He | H2 | H2 | N2 | |
Substrate | Celite | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.33 | |
Phase thickness (μm) | 0.4 | 1. | 1. | ||
Tstart (C) | 60. | 40. | 40. | 100. | 75. |
Tend (C) | 280. | 210. | 220. | 320. | 228. |
Heat rate (K/min) | 3. | 3. | 3. | 6. | |
Initial hold (min) | 10. | ||||
Final hold (min) | 60. | ||||
I | 1081. | 1083. | 1083. | 1088. | 1080. |
Reference | Pino and Marbot, 2001 | Moio and Addeo, 1998 | Moio L., Rillo L., et al., 1996 | Korhonen, 1985 | van den Dool and Kratz, 1963 |
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
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Balbontin, Gaete-Eastman, et al., 2007
Balbontin, C.; Gaete-Eastman, C.; Vergara, M.; Herrera, R.; Moya-Leon, M.A.,
Treatment with 1-MCP and the role of ethylene in aroma development of mountain papaya fruit,
Postharvest Biol. Technol., 2007, 43, 1, 67-77, https://doi.org/10.1016/j.postharvbio.2006.08.005
. [all data]
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Bylaite and Meyer, 2006
Bylaite, E.; Meyer, A.S.,
· Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques,
Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Emilio Tomei, Manganelli, et al., 2003
Emilio Tomei, P.; Manganelli, R.E.U.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Composition of the essential oil of Mentha microphylla from the Gennargentu Mountains (Sardinia, Italy),
J. Agric. Food Chem., 2003, 51, 12, 3614-3617, https://doi.org/10.1021/jf026091w
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
. [all data]
Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J.,
The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae),
Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2
. [all data]
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [all data]
Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F.,
Odorous constituents of ovine milk in relationship to diet,
J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3
. [all data]
Korhonen, 1985
Korhonen, I.O.O.,
Gas-liquid chromatographic analyses. XLIII. Retention increments for 2-chloro-, 2,2-dichloro- and 2,2,2-trichloroethyl esters of aliphatic C2-C20 n-alkanoic acids on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 329, 43-56, https://doi.org/10.1016/S0021-9673(01)81894-X
. [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, non-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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