2-Heptanone
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChIKey: CATSNJVOTSVZJV-UHFFFAOYSA-N
- CAS Registry Number: 110-43-0
- 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: n-Amyl methyl ketone; n-Pentyl methyl ketone; Amyl methyl ketone; Butylacetone; Heptan-2-one; Methyl amyl ketone; Methyl n-amyl ketone; Methyl n-pentyl ketone; Methyl pentyl ketone; Pentyl methyl ketone; n-C5H11COCH3; 2-Ketoheptane; Amyl-methyl-cetone; Ketone, methyl pentyl; Methyl-amyl-cetone; UN 1110; Ketone C-7; 2-Heptanal; Heptanone-2; NSC 7313
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Normal alkane 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 | CP-Wax CB | HP-Innowax | FFAP | DB-Wax | Innowax |
Column length (m) | 30. | 15. | 60. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 45. | 40. | 40. |
Tend (C) | 150. | 250. | 220. | 230. | 200. |
Heat rate (K/min) | 2. | 3. | 5. | 6. | 10. |
Initial hold (min) | 1. | 2. | 5. | ||
Final hold (min) | 5. | 5. | 20. | 15. | |
I | 1180. | 1158. | 1171. | 1174. | 1181. |
Reference | Alves, da Penha, et al., 2012 | Puvipirom and Chaisei, 2012 | Piyachaiseth, Jirapakkul, et al., 2011 | Chen, Song, et al., 2009 | Kaypak and Avsar, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Innowax | DB-Wax | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 30. | 50. | 30. | 60. | 60. |
Carrier gas | He | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.20 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.20 | 0.5 | 0.5 | 0.5 |
Tstart (C) | 30. | 45. | 40. | 40. | 40. |
Tend (C) | 210. | 190. | 240. | 220. | 220. |
Heat rate (K/min) | 5. | 4. | 5. | 4. | 4. |
Initial hold (min) | 2. | 8. | 8. | ||
Final hold (min) | 50. | 20. | 20. | ||
I | 1191. | 1185. | 1191. | 1182. | 1189. |
Reference | Kumazawa, Itobe, et al., 2008 | Soria, Sanz, et al., 2008 | Dury-Brun, Fournier, et al., 2007 | Povolo, Contarini, et al., 2007 | Povolo, Contarini, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | BP-20 | BP-20 | Supelcowax-10 | Innowax |
Column length (m) | 60. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 70. | 70. | 50. | 60. |
Tend (C) | 220. | 220. | 220. | 220. | 250. |
Heat rate (K/min) | 4. | 4. | 4. | 4. | 2. |
Initial hold (min) | 8. | 4. | 4. | 1. | |
Final hold (min) | 20. | 5. | 5. | 10. | 60. |
I | 1188. | 1192. | 1192. | 1175. | 1165. |
Reference | Povolo, Contarini, et al., 2007 | Rawat, Gulati, et al., 2007 | Rawat, Gulati, et al., 2007 | Wong, Lim, et al., 2006 | Bendimerad and Bendiab, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Stabilwax DA | DB-Wax | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | Nitrogen | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.53 | 0.53 | 0.53 |
Phase thickness (μm) | 0.5 | 0.50 | 1. | 1. | 1. |
Tstart (C) | 40. | 35. | 40. | 40. | 40. |
Tend (C) | 180. | 235. | 240. | 240. | 240. |
Heat rate (K/min) | 5. | 2. | 4. | 4. | 4. |
Initial hold (min) | 5. | 4. | 2. | 2. | 2. |
Final hold (min) | 30. | 20. | 20. | 20. | |
I | 1164. | 1200. | 1205. | 1205. | 1206. |
Reference | Nogueira, Lubachevsky, et al., 2005 | Qian and Wang, 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 | Rochat and Chaintreau, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | DB-Wax | TC-Wax | DB-Wax | DB-Wax |
Column length (m) | 50. | 30. | 60. | 30. | 30. |
Carrier gas | H2 | ||||
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.20 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 40. | 50. | 80. | 30. | 30. |
Tend (C) | 180. | 200. | 240. | 250. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
Initial hold (min) | 5. | 10. | 1. | 1. | |
Final hold (min) | 30. | 10. | |||
I | 1180. | 1191. | 1200. | 1179. | 1184. |
Reference | Narain, Almeida, et al., 2004 | Alves and Franco, 2003 | Miyazawa, Yamafuji, et al., 2003 | Tanaka, Yamauchi, et al., 2003 | Tanaka, Yamauchi, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | RTX-Wax | FFAP | HP-FFAP |
Column length (m) | 30. | 30. | 60. | 30. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 1. | 0.52 |
Tstart (C) | 40. | 40. | 40. | 35. | 60. |
Tend (C) | 200. | 200. | 180. | 240. | 240. |
Heat rate (K/min) | 3. | 3. | 5. | 5. | 5. |
Initial hold (min) | 10. | 10. | 5. | 3. | 1. |
Final hold (min) | 20. | 5. | |||
I | 1181. | 1177. | 1198. | 1160. | 1160. |
Reference | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 | Galindo-Cuspinera, Lubran, et al., 2002 | Lecanu, Ducruet, et al., 2002 | Qian and Reineccius, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TC-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | He | He | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 25. | 50. | 30. |
Tend (C) | 230. | 200. | 220. | 180. | 170. |
Heat rate (K/min) | 3. | 2. | 4. | 3. | 2. |
Initial hold (min) | 10. | 2. | 4. | ||
Final hold (min) | 10. | 30. | 40. | 60. | |
I | 1183. | 1169. | 1188. | 1191. | 1178. |
Reference | Suhardi, Suzuki, et al., 2002 | Umano, Hagi, et al., 2002 | Duque, Bonilla, et al., 2001 | Lee and Shibamoto, 2001 | Buttery, Orts, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | HP-Innowax |
Column length (m) | 30. | 30. | 60. | 60. | 25. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.53 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 1. | ||||
Tstart (C) | 60. | 60. | 30. | 50. | 35. |
Tend (C) | 210. | 210. | 170. | 200. | 250. |
Heat rate (K/min) | 4. | 4. | 2. | 3. | 4. |
Initial hold (min) | 4. | ||||
Final hold (min) | 30. | 40. | |||
I | 1190. | 1199. | 1178. | 1171. | 1151. |
Reference | Iwatsuki, Mizota, et al., 1999 | Iwatsuki, Mizota, et al., 1999 | Buttery and Ling, 1998 | Horiuchi, Umano, et al., 1998 | Ong, Acree, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TC-Wax | Carbowax 20M | DB-Wax | DB-Wax | PEG-20M |
Column length (m) | 60. | 60. | 60. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.15 | ||||
Tstart (C) | 80. | 60. | 60. | 60. | 60. |
Tend (C) | 240. | 180. | 180. | 180. | 180. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
Initial hold (min) | 5. | 4. | 4. | 4. | 4. |
Final hold (min) | |||||
I | 1180. | 1158. | 1168. | 1172. | 1160. |
Reference | Shuichi, Masazumi, et al., 1996 | Kawakami, Ganguly, et al., 1995 | Kobayashi, Tsuda, et al., 1995 | Kobayashi, Tsuda, et al., 1995 | Togari, Kobayashi, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | DB-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 50. | 60. | 50. | 50. | 80. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.15 | ||||
Tstart (C) | 60. | 60. | 60. | 60. | 70. |
Tend (C) | 180. | 220. | 180. | 180. | 170. |
Heat rate (K/min) | 2. | 3. | 2. | 2. | 2. |
Initial hold (min) | 4. | 4. | 4. | 4. | |
Final hold (min) | |||||
I | 1160. | 1180. | 1158. | 1158. | 1172. |
Reference | Togari, Kobayashi, et al., 1995 | Chung, Eiserich, et al., 1993 | Kawakami, Kobayashi, et al., 1993 | Kawakami and Kobayashi, 1991 | Anker, Jurs, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SP-1000 | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 25. | 60. | 60. | 150. | 150. |
Carrier gas | N2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.32 | 0.64 | 0.66 |
Phase thickness (μm) | 0.43 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 30. | 30. | 50. | 60. |
Tend (C) | 190. | 180. | 180. | 170. | 170. |
Heat rate (K/min) | 4. | 2. | 2. | 1. | 1. |
Initial hold (min) | 4. | 4. | 40. | ||
Final hold (min) | 30. | 30. | |||
I | 1187. | 1176. | 1177. | 1190. | 1170. |
Reference | De Llano D.G., Ramos M., et al., 1990 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 | Buttery, Kamm, et al., 1984 | Buttery and Ling, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 3. | 31. | 150. | 150. |
Carrier gas | He | Helium | He | |
Substrate | Chromosorb G AW DMCS | |||
Column diameter (mm) | 0.50 | 0.64 | 0.64 | |
Phase thickness (μm) | ||||
Tstart (C) | 60. | 40. | 50. | 50. |
Tend (C) | 180. | 200. | 170. | 170. |
Heat rate (K/min) | 4. | 10. | 1. | 1. |
Initial hold (min) | 10. | 30. | ||
Final hold (min) | 60. | |||
I | 1216. | 1183. | 1180. | 1190. |
Reference | Schieberle and Grosch, 1983 | Labropoulos, Palmer, et al., 1982 | Seifert and King, 1982 | Buttery, Parker, et al., 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Alves, da Penha, et al., 2012
Alves, V.C.C.; da Penha, M.F.A.; Pinto, N. deO.F.; Garruti, D. dosS.,
Volatile compounds profile of Musa FHIA 02: an option to counter losses by Black Sigatoka,
Nat. Prod. J., 2012, 5, 55-60. [all data]
Puvipirom and Chaisei, 2012
Puvipirom, J.; Chaisei, S.,
Contribution of roasted grains and seeds in aroma of oleang (Thai coffee drink),
Int. Food Res. J., 2012, 19, 2, 583-588. [all data]
Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]
Chen, Song, et al., 2009
Chen, G.; Song, H.; Ma, C.,
Aroma-active aompounds of Beijing roast duck,
Flavour Fragr. J., 2009, 24, 4, 186-191, https://doi.org/10.1002/ffj.1932
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Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K.,
Volatile and odor-active compounds of tuzlu yoghurt,
Asian J. Chem., 2008, 20, 5, 3641-3648. [all data]
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
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Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
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Dury-Brun, C.; Fournier, N.; Pernin, K.; Guichard, E.; Voilley, A.,
A new approach to studying sponge cake aroma after storage in treated paper and plastic packaging by direct gas chromatography?olfactometry (D-GC-O),
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Povolo, Contarini, et al., 2007
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Study on the influence of pasture on volatile fraction of Ewes' dairy products by solid-phase microextraction and gas chromatography-mass spectrometry,
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Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B.,
Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
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Wong, Lim, et al., 2006
Wong, K.C.; Lim, T.B.; Ali, D.M.H.,
Essential oil of Homalomena sagittifolia Jungh.,
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Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
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Nogueira, Lubachevsky, et al., 2005
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A study of the volatile composition of Minas cheese,
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Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
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Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
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Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
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Alves and Franco, 2003
Alves, G.L.; Franco, M.R.B.,
Headspace gas chromatography-mass spectrometry of volatile compounds in murici (Byrsonima crassifolia L. Rich),
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Miyazawa, Yamafuji, et al., 2003
Miyazawa, M.; Yamafuji, C.; Kurose, K.; Ishikawa, Y.,
Volatile components of the rhizomes of Cirsium japonicum DC,
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Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K.,
Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography,
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Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
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Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
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Lecanu, L.; Ducruet, V.; Jouquand, C.; Gratadoux, J.J.; Feigenbaum, A.,
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Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
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Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N.,
Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation,
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Umano, Hagi, et al., 2002
Umano, K.; Hagi, Y.; Shibamoto, T.,
Volatile chemicals identified in extracts from newly hybrid citrus, dekopon (Shiranuhi mandarin Suppl. J.),
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Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S.,
Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix,
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Lee and Shibamoto, 2001
Lee, K.-G.; Shibamoto, T.,
Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry],
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Buttery, Orts, et al., 1999
Buttery, R.G.; Orts, W.J.; Takeoka, G.R.; Nam, Y.,
Volatile flavor components of rice cakes,
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Iwatsuki, Mizota, et al., 1999
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Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
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Buttery and Ling, 1998
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Kawakami, Ganguly, et al., 1995
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Kobayashi, Tsuda, et al., 1995
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Togari, Kobayashi, et al., 1995
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Kawakami, Kobayashi, et al., 1993
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Volatitle constituents of greem mate and roasted mate,
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Buttery and Ling, 1984
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Corn leaf volatiles: identification using Tenax trapping for possible insect attractants,
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Schieberle and Grosch, 1983
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Identifizierung von Aromastoffen aus der Kruste von Roggenbrot,
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Seifert and King, 1982
Seifert, R.M.; King, A.D., Jr.,
Identification of some volatile constituents of Aspergillus clavatus,
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Buttery, Parker, et al., 1981
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Volatile components of alfalfa leaf-cutter bee cells,
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. [all data]
Notes
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