Acetic acid, hexyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChIKey: AOGQPLXWSUTHQB-UHFFFAOYSA-N
- CAS Registry Number: 142-92-7
- 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-Hexyl acetate; Hexyl acetate; Hexyl ethanoate; 1-Hexyl acetate; Acetic acid n-hexyl ester; n-Hexyl ethanoate; Hexyl alcohol, acetate; Hexylester kyseliny octove; Hexyl ester of acetic acid; NSC 7323; FEMA No. 2565
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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 | Innowax | DB-FFAP | DB-Wax | CP-Wax 57 CB |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | Hydrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
Tstart (C) | 50. | 40. | 50. | 40. | 35. |
Tend (C) | 150. | 250. | 250. | 230. | 150. |
Heat rate (K/min) | 2. | 8. | 4. | 3. | 4. |
Initial hold (min) | 1. | 4. | 2. | 5. | |
Final hold (min) | 5. | 2.75 | 5. | 5. | 17.5 |
I | 1272. | 1277. | 1270. | 1270. | 1257. |
Reference | Alves, da Penha, et al., 2012 | Siristova, Prinosilova, et al., 2012 | Osorio, Carriazo, et al., 2011 | Zhao, Xu, et al., 2009 | Callejon, Morales, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | TR-WAX | DB-Wax | DB-Wax |
Column length (m) | 30. | 25. | 60. | 30. | 30. |
Carrier gas | He | Helium | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.40 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 30. | 60. | 40. | 40. | 40. |
Tend (C) | 210. | 260. | 200. | 230. | 230. |
Heat rate (K/min) | 5. | 5. | 3. | 4. | 4. |
Initial hold (min) | 10. | 2. | 2. | ||
Final hold (min) | 40. | 10. | 5. | 15. | |
I | 1275. | 1282. | 1274. | 1254. | 1254. |
Reference | Kumazawa, Itobe, et al., 2008 | Kafkas and Paydas, 2007 | Tena N., Lazzez A., et al., 2007 | Xu, Fan, et al., 2007 | Fan and Qian, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | TR-WAX | DB-Wax | Innowax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 60. | 60. |
Carrier gas | N2 | He | N2 | He | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.50 |
Tstart (C) | 40. | 40. | 40. | 60. | 35. |
Tend (C) | 230. | 200. | 230. | 240. | 235. |
Heat rate (K/min) | 6. | 3. | 4. | 5. | 2. |
Initial hold (min) | 2. | 10. | 2. | 4. | |
Final hold (min) | 15. | 5. | 30. | 30. | |
I | 1270. | 1274. | 1263. | 1276. | 1291. |
Reference | Fan and Qian, 2006, 2 | Salas J.J., Garcia-Gonzalez D.L., et al., 2006 | Fan and Qian, 2005 | Joichi, Yomogida, et al., 2005 | Qian and Wang, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | TR-WAX | ZB-Wax | PEG-20M | DB-Wax |
Column length (m) | 60. | 60. | 30. | 50. | 60. |
Carrier gas | H2 | Helium | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.32 | 0.20 | 0.32 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.20 | 0.25 |
Tstart (C) | 50. | 40. | 40. | 40. | 40. |
Tend (C) | 180. | 200. | 250. | 180. | 230. |
Heat rate (K/min) | 3. | 3. | 5. | 3. | 4. |
Initial hold (min) | 10. | 10. | 2. | 5. | 5. |
Final hold (min) | 5. | 30. | 25. | ||
I | 1307. | 1274. | 1259. | 1278. | 1271. |
Reference | Rizzolo, Cambiaghi, et al., 2005 | Salas, Sánchez, et al., 2005 | N/A | Narain, Almeida, et al., 2004 | Dregus and Engel, 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 | DB-Wax | FFAP | DB-Wax |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 40. | 50. |
Tend (C) | 200. | 200. | 220. | 240. | 220. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 4. |
Initial hold (min) | 10. | 10. | 10. | 5. | 3. |
Final hold (min) | 10. | ||||
I | 1274. | 1269. | 1271. | 1272. | 1235. |
Reference | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 | Hayata, Sakamoto, et al., 2002 | Ducruet, Fournier, et al., 2001 | Weckerle, Bastl-Borrmann, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.2 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 50. | 50. | 70. | 60. | 60. |
Tend (C) | 180. | 180. | 240. | 280. | 280. |
Heat rate (K/min) | 3. | 3. | 5. | 4. | 4. |
Initial hold (min) | 8. | 8. | 8. | ||
Final hold (min) | 20. | ||||
I | 1289. | 1290. | 1268. | 1262. | 1267. |
Reference | Franco and Shibamoto, 2000 | Franco and Shibamoto, 2000 | Kim, Kim, et al., 2000 | Korány, Mednyánszky, et al., 2000 | Korány, Mednyánszky, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | HP-Innowax | DB-Wax | TC-Wax |
Column length (m) | 60. | 60. | 25. | 60. | 60. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 50. | 40. | 35. | 50. | 80. |
Tend (C) | 230. | 200. | 250. | 200. | 240. |
Heat rate (K/min) | 5. | 2. | 4. | 3. | 3. |
Initial hold (min) | 2. | 2. | 5. | ||
Final hold (min) | 40. | ||||
I | 1273. | 1271. | 1267. | 1280. | 1265. |
Reference | Paniandy, Chane-Ming, et al., 2000 | Umano, Hagi, et al., 2000 | Ong, Acree, et al., 1998 | Wada and Shibamoto, 1997 | Shuichi, Masazumi, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | DB-Wax | Supelcowax-10 | Carbowax 20M | DB-Wax |
Column length (m) | 60. | 30. | 90. | 80. | 60. |
Carrier gas | He | Hydrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.2 | 0.322 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | |
Tstart (C) | 40. | 30. | 35. | 70. | 50. |
Tend (C) | 200. | 190. | 220. | 170. | 230. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 4. |
Initial hold (min) | 3. | 6. | 20. | ||
Final hold (min) | 30. | 30. | |||
I | 1279. | 1277. | 1270. | 1307. | 1270. |
Reference | Wong and Lai, 1996 | Young, Gilbert, et al., 1996 | Girard and Lau, 1995 | Anker, Jurs, et al., 1990 | Engel, Flath, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 50. | 50. | 50. | 50. |
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.22 | 0.22 | 0.22 | 0.22 |
Phase thickness (μm) | |||||
Tstart (C) | 60. | 80. | 80. | 80. | 80. |
Tend (C) | 220. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 1290. | 1264. | 1265. | 1264. | 1265. |
Reference | Hamilton-Kemp, Andersen, et al., 1988 | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1988 | Mihara, Tateba, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 60. | 50. | 50. | 50. |
Carrier gas | H2 | H2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.22 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 30. | 30. | 80. | 80. | 80. |
Tend (C) | 180. | 180. | 200. | 200. | 200. |
Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | |||||
I | 1272. | 1272. | 1264. | 1265. | 1264. |
Reference | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Mihara, Tateba, et al., 1987 | Mihara, Tateba, et al., 1987 | Mihara, Tateba, et al., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Carbowax 20M |
Column length (m) | 50. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | 0.22 |
Phase thickness (μm) | |
Tstart (C) | 80. |
Tend (C) | 200. |
Heat rate (K/min) | 3. |
Initial hold (min) | |
Final hold (min) | |
I | 1265. |
Reference | Mihara, Tateba, et al., 1987 |
Comment | 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
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Volatile constituents from the fruits of four Syzygium species grown in Malaysia,
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Causal effects of aroma compounds on Royal Gala apple flavours,
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Notes
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