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, 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 | DB-1 | DB-5 | DB-5 | HP-5 MS | HP-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Hydrogen |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 35. | 50. | 70. |
Tend (C) | 250. | 300. | 200. | 240. | 290. |
Heat rate (K/min) | 8. | 4. | 2. | 4. | 5. |
Initial hold (min) | 4. | 2. | |||
Final hold (min) | 5. | 10. | |||
I | 996. | 1016. | 1007. | 1011. | 1013. |
Reference | Misharina T., 2011 | Osorio, Carriazo, et al., 2011 | Pattiram, Lasekan, et al., 2011 | Pino, Marquez, et al., 2010 | Radulovic, Dordevic, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | ZB-5 | HP-5 MS | DB-5 MS | DB-1 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 10. |
Carrier gas | Helium | Helium | Helium | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.10 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.40 |
Tstart (C) | 60. | 40. | 40. | 30. | 40. |
Tend (C) | 230. | 250. | 250. | 210. | 280. |
Heat rate (K/min) | 10. | 4. | 4. | 5. | 20. |
Initial hold (min) | 2. | 2. | 2. | 1. | |
Final hold (min) | 10. | 5. | 2. | 1. | |
I | 1014. | 1017. | 1016. | 991. | 1014. |
Reference | Alagarmalai, Nestel, et al., 2009 | Raffo, Kelderer, et al., 2009 | Su, Wang, et al., 2009 | Kumazawa, Itobe, et al., 2008 | Mildner-Szkudlarz and Jelen, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-101 | DB-5 | HP-1 | Ultra-2 |
Column length (m) | 60. | 25. | 30. | 50. | 25. |
Carrier gas | Helium | He | He | N2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.2 | 0.32 | 0.2 | 0.25 |
Phase thickness (μm) | 1.0 | 0.2 | 0.25 | 0.33 | 0.33 |
Tstart (C) | 35. | 70. | 40. | 60. | 40. |
Tend (C) | 240. | 200. | 250. | 250. | 280. |
Heat rate (K/min) | 15. | 3. | 4. | 2. | 3. |
Initial hold (min) | 7. | 2. | 2. | 2. | |
Final hold (min) | 10. | 5. | 20. | 10. | |
I | 1014. | 983. | 1015. | 997. | 1019. |
Reference | Gogus, Ozel, et al., 2007 | Jerkovic, Mastelic, et al., 2007 | Xu, Fan, et al., 2007 | Berlioz, Cordella, et al., 2006 | Ceva-Antunes, Bizzo, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | DB-5 | HP-5 | DB-1 |
Column length (m) | 60. | 30. | 30. | 30. | 60. |
Carrier gas | Nitrogen | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 40. | 50. | 60. |
Tend (C) | 200. | 250. | 230. | 300. | 250. |
Heat rate (K/min) | 2. | 4. | 6. | 5. | 5. |
Initial hold (min) | 1. | 2. | 2. | 5. | |
Final hold (min) | 9. | 15. | 15. | 5. | 10. |
I | 993. | 1015. | 1017. | 1014. | 992. |
Reference | Chen, Sheu, et al., 2006 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 | Figuérédo, Cabassu, et al., 2006 | Hadian, Sonboli, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | DB-1 | RTX-5Sil | CP Sil 5 CB |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | He | H2 | He | He | 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 | 0.25 |
Tstart (C) | 35. | 50. | 60. | 45. | 40. |
Tend (C) | 200. | 280. | 250. | 200. | 220. |
Heat rate (K/min) | 3. | 4. | 5. | 3. | 4. |
Initial hold (min) | 5. | 2. | 5. | 1. | |
Final hold (min) | 10. | ||||
I | 1008. | 1008. | 995. | 1015. | 1009. |
Reference | Isidorov, Purzynska, et al., 2006 | Pino, Sauri-Duch, et al., 2006 | Fakhari, Salehi, et al., 2005 | Holland, Larkov, et al., 2005 | Rohloff and Bones, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | HP-1 | SE-54 | HP-5 | SPB-5 |
Column length (m) | 50. | 30. | 30. | 25. | 30. |
Carrier gas | N2 | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.33 | 0.33 | 0.25 | 0.33 | 0.25 |
Tstart (C) | 60. | 40. | 40. | 40. | 40. |
Tend (C) | 250. | 260. | 200. | 190. | 220. |
Heat rate (K/min) | 2. | 2. | 5. | 4. | 5. |
Initial hold (min) | 5. | 4. | 1. | ||
Final hold (min) | 20. | 20. | 10. | 5. | 20. |
I | 988. | 1009. | 1020. | 999. | 1015. |
Reference | Cavalli, Fernandez, et al., 2004 | Senatore, Napolitano, et al., 2004 | Tura, Prenzler, et al., 2004 | Azodanlou, Darbellay, et al., 2003 | Ledauphin, Guichard, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | MDN-5 | HP-1 | SPB-1 | SPB-1 |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 60. | 40. | 60. | 40. | 40. |
Tend (C) | 240. | 280. | 220. | 200. | 200. |
Heat rate (K/min) | 3. | 20. | 2. | 3. | 3. |
Initial hold (min) | 1. | 10. | 10. | ||
Final hold (min) | 1. | 40. | |||
I | 1012. | 1014. | 986. | 997. | 999. |
Reference | Maia, Taveira, et al., 2003 | Mildner-Szkudlarz, Jelen, et al., 2003 | Valette, Fernandez, et al., 2003 | Vichi, Castellote, et al., 2003 | Vichi, Pizzale, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | OV-101 | SPB-5 | HP-1 | CP Sil 5 CB |
Column length (m) | 30. | 50. | 60. | 25. | 25. |
Carrier gas | He | N2 | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.17 | ||
Tstart (C) | 60. | 80. | 70. | 40. | 50. |
Tend (C) | 240. | 200. | 240. | 260. | 230. |
Heat rate (K/min) | 3. | 2. | 5. | 3. | 3. |
Initial hold (min) | 8. | 5. | |||
Final hold (min) | 20. | ||||
I | 1007. | 991. | 1017. | 1002. | 1008. |
Reference | Maia, Zoghbi, et al., 2002 | Yang, 2001 | Kim, Kim, et al., 2000 | Lopes, Koketsu, et al., 1999 | Oyedeji, Olawore, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Ultra-2 | DB-5MS | HP-1 | SPB-1 | HP-5 |
Column length (m) | 25. | 30. | 25. | 50. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.2 | |
Phase thickness (μm) | 0.25 | 0.33 | |||
Tstart (C) | 40. | 60. | 35. | 40. | 35. |
Tend (C) | 300. | 240. | 250. | 200. | 200. |
Heat rate (K/min) | 5. | 3. | 4. | 3. | 6. |
Initial hold (min) | 4. | 3. | 2. | ||
Final hold (min) | 30. | ||||
I | 1009. | 1007. | 994. | 1005. | 1012. |
Reference | Quiroz, Fuentes-Contreras, et al., 1999 | Zoghbi, Andrade, et al., 1999 | Ong, Acree, et al., 1998 | Wong and Lai, 1996 | Larsen and Frisvad, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 MS | DB-5 | DB-1 | DB-1 | DB-1 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | He | He | He | 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 | |
Tstart (C) | 50. | 40. | 50. | 50. | 50. |
Tend (C) | 250. | 200. | 240. | 240. | 240. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 5. |
Initial hold (min) | 2. | 5. | 5. | 3. | |
Final hold (min) | |||||
I | 1010. | 1000. | 992. | 995. | 991. |
Reference | Gomez and Ledbetter, 1994 | Shimoda, Shibamoto, et al., 1993 | Shiota, 1993 | Shiota, 1993 | Shiota, 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 30. | 50. | 50. | 50. | 50. |
Carrier gas | He | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.28 | 0.25 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 50. | 80. | 80. | 80. | 80. |
Tend (C) | 240. | 200. | 200. | 200. | 200. |
Heat rate (K/min) | 5. | 2. | 2. | 2. | 2. |
Initial hold (min) | 3. | ||||
Final hold (min) | |||||
I | 995. | 991. | 993. | 1012. | 992. |
Reference | Shiota, 1993 | Tamura, Yang, et al., 1993 | Tamura, Yang, et al., 1993 | Anker, Jurs, et al., 1990 | Sugisawa, Yamamoto, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | DB-1 | OV-101 | OV-101 |
Column length (m) | 50. | 50. | 60. | 50. | 50. |
Carrier gas | N2 | N2 | He | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.315 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 80. | 80. | 50. | 40. | 40. |
Tend (C) | 200. | 200. | 250. | 200. | 200. |
Heat rate (K/min) | 2. | 2. | 4. | 2. | 5. |
Initial hold (min) | 0. | 0. | |||
Final hold (min) | 0. | 0. | |||
I | 989. | 992. | 994. | 988. | 990. |
Reference | Sugisawa, Yang, et al., 1989 | Sugisawa, Yang, et al., 1989 | Engel, Flath, et al., 1988 | Tkachenko and Zenkevich, 1987 | Tkachenko and Zenkevich, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | DB-1 | DB-1 | OV-101 | SP 2100 |
Column length (m) | 60. | 50. | 50. | 50. | 40. |
Carrier gas | Helium | He | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.50 | 0.32 | 0.32 | 0.31 | 0.20 |
Phase thickness (μm) | 1.2 | ||||
Tstart (C) | 40. | 0. | 50. | 0. | 40. |
Tend (C) | 220. | 250. | 250. | 225. | 200. |
Heat rate (K/min) | 2. | 3. | 3. | 3. | 10. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 1002. | 997. | 997. | 995. | 997. |
Reference | Wahab, Aboutabl, et al., 1987 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | Labropoulos, Palmer, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | SE-30 | OV-1 |
Column length (m) | 200. | 183. |
Carrier gas | N2 | N2 |
Substrate | ||
Column diameter (mm) | 0.6 | 0.762 |
Phase thickness (μm) | ||
Tstart (C) | 20. | 0. |
Tend (C) | 220. | 230. |
Heat rate (K/min) | 2. | 1. |
Initial hold (min) | ||
Final hold (min) | ||
I | 996. | 998. |
Reference | Dirinck, de Pooter, et al., 1981 | Schreyen, Dirinck, et al., 1979 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Misharina T., 2011
Misharina T.,
Headspace analysis of aroma compounds using porous adsorbents,
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Thermal and structural study of Guava (Psidium guajava L.) powders obtained by two dehydration methods,
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Identification of the aroma-active constituents of the essential oils of Water Dropwort (Oenanthe javanica) and Kacip Fatimah (Labisia pumilia),
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Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
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Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
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Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
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