Acetic acid, hexyl ester
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChI: InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
- 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.
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Notes
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