2-Hexen-1-ol, acetate, (E)-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChIKey: HRHOWZHRCRZVCU-AATRIKPKSA-N
- CAS Registry Number: 2497-18-9
- 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. - Species with the same structure:
- Isotopologues:
- Stereoisomers:
- Other names: trans-2-Hexenyl acetate; 2-Hexen-1-ol acetate; Hex-2-enyl acetate, trans-; 2-Hexenyl acetate, trans-; 2-Hexen-1-yl-acetate, (E)-; (E)-2-Hexenyl acetate; (E)-2-Hexen-1-yl acetate; (E)-Hex-2-enyl acetate; trans-Hex-2-enyl acetate; 2-Hexenyl acetate; 2-Hexen-1-yl acetate; hex-2-en-1-yl acetate; hex-2-enyl acetate; (E)-2-Hexen-1-ol acetate
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1095 |
NIST MS number | 233560 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 100. | 991. | Tudor and Moldovan, 1999 | |
Capillary | SE-30 | 100. | 991.4 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 997. | Mahmood, Kaul, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min, 280. C @ 25. min |
Capillary | DB-1 | 994. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 997. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 996. | Khan, Verma, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min) |
Capillary | SPB-1 | 997. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | SPB-1 | 997. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 150. | 1359. | Tudor, Moldovan, et al., 1999 | Phase thickness: 0.45 μm |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax | 1315. | Mahmood, Kaul, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 5. K/min, 190. C @ 5. min; Tstart: 40. C |
Capillary | Supelcowax | 1315. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | Supelcowax | 1315. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | Supelcowax-10 | 1339. | Wong and Teng, 1994 | He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-Wax | 1336. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 1338. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 1332. | Umano, Shoji, et al., 1986 | N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 1322. | Umano, Shoji, et al., 1986 | N2, 60. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 1330. | Spencer, Pangborn, et al., 1978 | N2, 3. K/min; Column length: 30. m; Column diameter: 0.26 mm; Tstart: 70. C; Tend: 170. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1017. | Maccioni, Baldini, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5 | 1017. | Flamini, Luigi Cioni, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | DB-1 | 995.8 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | HP-5 | 1019. | Ruther, 2000 | 30. m/0.32 mm/0.25 μm, 40. C @ 4. min, 3. K/min; Tend: 280. C |
Capillary | DB-5 | 1014. | Gómez, Ledbetter, et al., 1993 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | DB-5 | 1020. | Guichard and Souty, 1988 | H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; Tend: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1016. | Sampaio and Nogueira, 2006 | 30. m/0.25 mm/0.25 μm; Program: 40C(2min) => 4C/min => 220C => 20C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax Etr | 1338. | Aubert and Chanforan, 2007 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 5. K/min, 250. C @ 15. min |
Capillary | Supelcowax-10 | 1338. | Riu-Aumatell, Lopez-Tamames, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | ZB-Wax | 1334. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min |
Capillary | DB-Wax Etr | 1325. | Ménager, Jost, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 1323. | Ruther, 2000 | 30. m/0.32 mm/0.25 μm, 40. C @ 4. min, 3. K/min; Tend: 230. C |
Capillary | HP-Wax | 1344. | Christensen, Jakobsen, et al., 1997 | 50. m/0.2 mm/0.4 μm, He, 30. C @ 1. min, 5. K/min, 220. C @ 30. min |
Capillary | DB-Wax | 1337. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 1330. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | Carbowax 20M | 1340. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | DB-Wax | 1345. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 1346. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1323. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 8 CB | 1028. | Marques, Wendler, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min; Tend: 280. C |
Capillary | RTX-5Sil | 1018. | Holland, Larkov, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | RSL-200 | 994. | Jirovetz, Buchbauer, et al., 2003 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Capillary | Methyl Silicone | 995. | Vendramini and Trugo, 2000 | 50. m/0.25 mm/0.5 μm, H2, 40. C @ 0.5 min, 4. K/min; Tend: 260. C |
Capillary | DB-5 MS | 1014. | Gomez and Ledbetter, 1994 | Helium, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 994. | Engel, Flath, et al., 1988 | 60. m/0.315 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-1 | 995. | Yasuda and Higuchi, 2012 | Program: not specified |
Capillary | CP-Sil 8CB-MS | 1010. | Profitt, Schatz, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; 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 |
Capillary | CP-Sil | 1010. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; 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 -> 250 0C |
Capillary | SF96+Igepal | 1003. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax | 1340. | Joichi, Yomogida, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 5. K/min, 240. C @ 30. min; Tstart: 60. C |
Capillary | DB-Wax | 1354. | Qian and Wang, 2005 | 60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min |
Capillary | DB-Wax | 1333. | Dregus and Engel, 2003 | 60. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min |
Capillary | DB-Wax | 1321. | Hayata, Sakamoto, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min |
Capillary | DB-Wax | 1334. | Weckerle, Bastl-Borrmann, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 220. C |
Capillary | CBP-20 | 1323. | Quiroz A. and Niemeyer H.M., 1998 | 35. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 1337. | Young, Gilbert, et al., 1996 | 30. m/0.32 mm/0.50 μm, Hydrogen, 30. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | DB-Wax | 1331. | Engel, Flath, et al., 1988 | 60. m/0.322 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | Carbowax 20M | 1322. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1325. | Mihara, Tateba, et al., 1988 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-Wax | 1333. | Takeoka, Flath, et al., 1988 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min; Tend: 180. C |
Capillary | DB-Wax | 1333. | Takeoka, Flath, et al., 1988 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min; Tend: 180. C |
Capillary | Carbowax 20M | 1322. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 1325. | Mihara, Tateba, et al., 1987 | N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1337. | Yasuda and Higuchi, 2012 | Program: not specified |
Capillary | DB-Wax | 1320. | Rowan, Hunt, et al., 2009 | 20. m/0.18 mm/0.18 μm, Helium; Program: 35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) |
Capillary | DB-Wax | 1342. | Valappil, Fan, et al., 2009 | 30. m/0.32 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) |
Capillary | Supelcowax-10 | 1341. | Forney and Jordan, 1998 | 60. m/0.53 mm/1. μm, He; Program: 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min) |
Capillary | CP-Wax 52CB | 1331. | Vernin, 1991 | Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tudor and Moldovan, 1999
Tudor, E.; Moldovan, D.,
Temperature Dependence of the Retention Index for Perfumery Compounds on a Se-30 Glass Capillary Column. II. The Hyperbolic Equation,
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Tudor, 1997
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Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
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Mahmood, Kaul, et al., 2004
Mahmood, U.; Kaul, V.K.; Acharya, R.,
Volatile constituents of Capillipedium parviflorum,
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Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
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Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2,
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Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
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Volatile constituents of peel of quince fruit, Cydonia oblonga Miller,
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Gas chromatographic and sensory analysis of volatiles from cling peaches,
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Notes
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