3-Hexen-1-ol, acetate, (Z)-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChIKey: NPFVOOAXDOBMCE-PLNGDYQASA-N
- CAS Registry Number: 3681-71-8
- 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:
- Stereoisomers:
- Other names: cis-3-Hexenyl Acetate; cis-3-Hexenyl-1-acetate; Acetic acid cis-3-hexenyl ester; 3-Hexenol acetate, cis; 3(Z)-Hexenyl acetate; cis-3-Hexen-1-ol, acetate; cis-Hex-3-enyl acetate; Hex-3(Z)-enyl acetate; (Z)-3-Hexen-1-ol acetate; (Z)-3-Hexen-1-yl, acetate; (Z)-3-Hexenol acetate; (Z)-3-Hexenyl acetate; Z-Hex-3-en-1-yl acetate; (Z)-Hex-3-enyl acetate; (3Z)-3-Hexenyl acetate
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Van Den Dool and Kratz 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 | RTX-1 | DB-5 | HP-5 | RSL-200 | SPB-5 |
Column length (m) | 60. | 25. | 30. | 30. | 30. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 40. | 60. |
Tend (C) | 230. | 200. | 260. | 280. | 250. |
Heat rate (K/min) | 2. | 2. | 10. | 6. | 4. |
Initial hold (min) | 3. | 5. | 2. | ||
Final hold (min) | 35. | 60. | 5. | 20. | |
I | 987. | 1007. | 1007. | 996. | 1007. |
Reference | Paolini, Muselli, et al., 2007 | Rout, Rao, et al., 2007 | Zhao, Wang X.Y., et al., 2006 | Ngassoum, Ousmaila, et al., 2004 | Pino, Marbot, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | HP-1 | HP-1 | HP-1 | CP Sil 5 CB |
Column length (m) | 30. | 50. | 50. | 50. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.53 | 0.2 | 0.2 | 0.2 | 0.32 |
Phase thickness (μm) | 1.5 | 0.33 | 0.33 | 0.33 | 0.25 |
Tstart (C) | 100. | 60. | 60. | 60. | 60. |
Tend (C) | 250. | 250. | 250. | 250. | 280. |
Heat rate (K/min) | 5. | 2. | 2. | 2. | 3. |
Initial hold (min) | 5. | 5. | 5. | 10. | |
Final hold (min) | 20. | 20. | 20. | 60. | |
I | 999. | 981. | 985. | 981. | 984. |
Reference | Rodríguez-Burruezo, Kollmannsberger, et al., 2004 | Cavalli, Fernandez, et al., 2003 | Cavalli, Fernandez, et al., 2003 | Cavalli, Fernandez, et al., 2003 | Pino, Almora, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | RTX-5 | CP Sil 5 CB | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 30. | 30. | 50. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 0.4 | 0.4 |
Tstart (C) | 60. | 45. | 60. | 60. | 60. |
Tend (C) | 260. | 300. | 280. | 280. | 280. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 3. |
Initial hold (min) | 6. | 10. | 10. | 10. | |
Final hold (min) | 10. | 60. | 60. | 60. | |
I | 1007. | 1008. | 984. | 984. | 984. |
Reference | Javidnia, Miri, et al., 2002 | Mondello, Zappia, et al., 2002 | Pino, Marbot, et al., 2002 | Pino and Marbot, 2001 | Pino, Marbot, et al., 2001 |
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 | HP-5 | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | He | He | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | |
Tstart (C) | 50. | 35. | 40. | 40. | -50. |
Tend (C) | 200. | 280. | 245. | 280. | 175. |
Heat rate (K/min) | 4. | 5.3 | 3. | 3. | 6. |
Initial hold (min) | 1. | 3. | 4. | 2. | |
Final hold (min) | 5. | 20. | |||
I | 1007. | 1005.0 | 989. | 1008. | 990.2 |
Reference | Shalit, Katzir, et al., 2001 | Siegmund, Derler, et al., 2001 | Brat, Brillouet, et al., 2000 | Ruther, 2000 | Helmig, Klinger, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | OV-101 | OV-101 | DB-5 | CP Sil 5 CB |
Column length (m) | 30. | 50. | 50. | 0.32 | 25. |
Carrier gas | He | N2 | N2 | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 1. | 0.22 |
Phase thickness (μm) | |||||
Tstart (C) | 50. | 80. | 80. | 30. | 70. |
Tend (C) | 250. | 200. | 200. | 180. | 205. |
Heat rate (K/min) | 4. | 2. | 2. | 1.5 | 4. |
Initial hold (min) | 5. | ||||
Final hold (min) | |||||
I | 1005. | 983. | 986. | 1007. | 989. |
Reference | Gómez, Ledbetter, et al., 1993 | Yang, Sugisawa, et al., 1992 | Yang, Sugisawa, et al., 1992 | Guichard and Souty, 1988 | Hendriks and Bruins, 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
. [all data]
Zhao, Wang X.Y., et al., 2006
Zhao, Y.P.; Wang X.Y.; Wang, Z.C.; Lu Y.; Fu, C.X.; Chen, S.Y.,
Essential oil of Actinidia macrosperma, a catnip response kiwi endemic to China,
Journal of Zhejiang University SCIENCE B, 2006, 7, 9, 708-712, https://doi.org/10.1631/jzus.2006.B0708
. [all data]
Ngassoum, Ousmaila, et al., 2004
Ngassoum, M.B.; Ousmaila, H.; Ngamo, L.T.; Maponmetsem, P.M.; Jirovetz, L.; Buchbauer, G.,
Aroma compounds of essential oils of two varieties of the spice plant Ocimum canum Sims from northern Cameroon,
J. Food Comp. Anal., 2004, 17, 2, 197-204, https://doi.org/10.1016/j.jfca.2003.08.002
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
Rodríguez-Burruezo, Kollmannsberger, et al., 2004
Rodríguez-Burruezo, A.; Kollmannsberger, H.; Prohens, J.; Nitz, S.; Nuez, F.,
Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum),
J. Agric. Food Chem., 2004, 52, 18, 5663-5669, https://doi.org/10.1021/jf040107w
. [all data]
Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils,
J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [all data]
Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G.,
Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type,
Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
. [all data]
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Shalit, Katzir, et al., 2001
Shalit, M.; Katzir, N.; Tadmor, Y.; Larkov, O.; Burger, Y.; Shalekhet, F.; Lastochkin, E.; Ravid, U.; Amar, O.; Edelstein, M.; Karchi, Z.; Lewinsohn, E.,
Acetyl-CoA: alcohol acetyltransferase activity and aroma formation in ripening melon fruits,
J. Agric. Food Chem., 2001, 49, 2, 794-799, https://doi.org/10.1021/jf001075p
. [all data]
Siegmund, Derler, et al., 2001
Siegmund, B.; Derler, K.; Pfannhauser, W.,
Changes in the aroma of a strawberry drink during storage,
J. Agric. Food Chem., 2001, 49, 7, 3244-3252, https://doi.org/10.1021/jf010116u
. [all data]
Brat, Brillouet, et al., 2000
Brat, P.; Brillouet, J.-M.; Reynes, M.; Cogat, P.-O.; Ollé, D.,
Free volatile components of passion fruit puree obtained by flash vacuum-expansion,
J. Agric. Food Chem., 2000, 48, 12, 6210-6214, https://doi.org/10.1021/jf000645i
. [all data]
Ruther, 2000
Ruther, J.,
Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 890, 2, 313-319, https://doi.org/10.1016/S0021-9673(00)00618-X
. [all data]
Helmig, Klinger, et al., 1999
Helmig, D.; Klinger, L.F.; Guenther, A.; Vierling, L.; Geron, C.; Zimmerman, P.,
Biogenic volatile organic compound emissions (BVOCs). I. Identifications from three continental sites in the U.S.,
Chemosphere, 1999, 38, 9, 2163-2187, https://doi.org/10.1016/S0045-6535(98)00425-1
. [all data]
Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L.,
Volatile compounds in apricot, plum, and their interspecific hybrids,
J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029
. [all data]
Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
Comparison of odor quality in peel oils of acid citrus,
Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16
. [all data]
Guichard and Souty, 1988
Guichard, E.; Souty, M.,
Comparison of the relative quantities of aroma compounds found in fresh apricot (Prunus armeniaca) from six different varieties,
Z. Lebensm. Unters. Forsch., 1988, 186, 4, 301-307, https://doi.org/10.1007/BF01027031
. [all data]
Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P.,
A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices,
Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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