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, custom temperature program
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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | Siloxane, 5 % Ph | HP-1 | CP-Sil 8 CB |
Column length (m) | 30. | ||||
Carrier gas | Hydrogen | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | ||||
Phase thickness (μm) | 0.25 | ||||
Program | not specified | not specified | not specified | not specified | 30 0C 3 0C/min -> 150 0C 20 0C/min -> 220 0C |
I | 1007. | 1016. | 997. | 996. | 1015. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | VOC BinBase, 2012 | Yasuda and Higuchi, 2012 | de Freitas, Garruti, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | Polydimethyl siloxane, 5 % phenyl | HP-5 MS | BPX-5 | BPX-5 |
Column length (m) | 60. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 1.00 | 0.25 | 0.25 | 0.25 | |
Program | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified | not specified | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) | 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) |
I | 1018. | 997. | 1009. | 1015. | 1022. |
Reference | Miyazaki, Plotto, et al., 2011 | Skogerson, Wohlgemuth, et al., 2011 | Pino, Marquez, et al., 2010 | Ortiz, Echeverra, et al., 2009 | se Souza, Cardeal, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | DB-5 MS | Squalane | CB-1 | CB-1 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | not specified | 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min) | not specified |
I | 1013. | 1007. | 988. | 1003. | 1006. |
Reference | se Souza, Cardeal, et al., 2009 | Su, Wang, et al., 2009 | Chen, 2008 | Kannaste, Vongvanich, et al., 2008 | Kannaste, Vongvanich, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | HP-5 | HP-5 | HP-1 | DB-5 |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Program | 50 0C(3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 260 0C | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) | not specified | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 50C(1min) => 5C/min => 100C => 10C/min => 250C (9min) |
I | 1009. | 1013. | 1015. | 990. | 1011. |
Reference | Profitt, Schatz, et al., 2008 | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 | Barra, Baldovini, et al., 2007 | Beaulieu and Lancaster, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | DB-5 | LM-5 | LM-5 | LM-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | 40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min) | 50 0C (10 min) 2 oC/min -> 75 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C | not specified | not specified |
I | 1012. | 1010. | 1024. | 1010. | 1012. |
Reference | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Greger and Schieberle, 2007 | Janzanntti, Franco, et al., 2007 | Janzanntti, Franco, et al., 2007 | Janzanntti, Franco, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | VB-5 | SE-30 | CP-Sil | CP-Sil | Ultra-2 |
Column length (m) | 60. | 30. | 30. | 25. | |
Carrier gas | He | Helium | Helium | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.33 | |
Program | 35C(1min) => 4C/min => 175C => 10C/min => 260C | not specified | 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C | 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C | not specified |
I | 997. | 988. | 1009. | 1012. | 1008. |
Reference | Karlshøj, Nielsen, et al., 2007 | Liu, Liang, et al., 2007 | Proffit, 2007 | Proffit, 2007 | 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 | SPB-1 | DB-5 | CP-Sil5 CB MS | Polydimethyl siloxane with 5 % Ph groups | HP-5 |
Column length (m) | 30. | 60. | 50. | ||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 1.2 | ||
Program | not specified | 50C => 5C/min => 100C => 15C/min => 250C (19C) | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | not specified | not specified |
I | 1012. | 1011. | 992. | 1008. | 1008. |
Reference | Riu-Aumatell, Bosch-Fuste´, et al., 2006 | Beaulieu, 2005 | Iraqi, Vermeulen, et al., 2005 | Pino, Marbot, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-5MS | SE-30 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C | 40C => 2C/min => 60C => 4C/min => 260C | not specified | 40C(1min) => 5C/min => 180C => 10C/min => 220C(2min) | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C |
I | 1008. | 1008. | 995. | 1015. | 1014. |
Reference | Crook, Boylston, et al., 2004 | Maia, Andrade, et al., 2004 | Vinogradov, 2004 | Demyttenaere, Dagher, et al., 2003 | Jordán, Margaría, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | OV-101 | HP-5MS | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C | not specified | 40C(1min) => 5C/min => 220C => 10C/min => 240C(2min) | not specified | not specified |
I | 1008. | 1012. | 1015. | 1008. | 1010. |
Reference | Jordán, Margaría, et al., 2003 | Krings, Banavara, et al., 2003 | Demyttenaere, Dagher, et al., 2002 | Jordán, Goodner, et al., 2002 | Jordán, Goodner, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | Methyl Silicone | SPB-1 | DB-5 | DB-5 |
Column length (m) | 50. | 60. | 30. | 30. | |
Carrier gas | N2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.53 | 0.32 | 0.32 | |
Phase thickness (μm) | 5. | 1. | 1. | ||
Program | not specified | not specified | 40C(6min) => 5C/min => 80C => 10C/min => 200C | 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) | 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
I | 993. | 996. | 992. | 1003. | 995. |
Reference | Yang, 2001 | Estrada and Gutierrez, 1999 | Flanagan, Streete, et al., 1997 | Storer, Elmore, et al., 1993 | Storer, Elmore, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-1 | DB-1 | DB-1 | OV-101 |
Column length (m) | 30. | 60. | 30. | 30. | 25. |
Carrier gas | Helium | H2 | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.25 | 0.25 | 0.31 |
Phase thickness (μm) | 1. | 5.0 | 0.25 | 0.25 | |
Program | 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | not specified |
I | 997. | 992. | 995. | 995. | 1012. |
Reference | Storer, Elmore, et al., 1993 | Strete, Ruprah, et al., 1992 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Morales and Duque, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | OV-101 | OV-101 | SF96+Igepal | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 50. | 50. | 152. | 50. |
Carrier gas | He | He | Hydrogen | |
Substrate | ||||
Column diameter (mm) | 0.24 | 0.24 | 0.76 | 0.32 |
Phase thickness (μm) | ||||
Program | not specified | not specified | 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C | not specified |
I | 1012. | 994. | 1000. | 990. |
Reference | Zenkevich and Malamakhov, 1987 | Zenkevich and Malamakhov, 1987 | Flath, Altieri, et al., 1984 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, 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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VOC BinBase, 2012
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Notes
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