3-Hexen-1-ol, benzoate, (Z)-
- Formula: C13H16O2
- Molecular weight: 204.2649
- IUPAC Standard InChI: InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-
- IUPAC Standard InChIKey: BCOXBEHFBZOJJZ-ARJAWSKDSA-N
- CAS Registry Number: 25152-85-6
- 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:
- Stereoisomers:
- Other names: cis-3-Hexenyl benzoate; Benzoic acid cis-3-hexenyl ester; Benzoic acid, 3-hexenyl ester, (Z)-; (3Z)-3-Hexenyl benzoate; cis-Hexenyl-3-benzoate; Hex-3(Z)-enyl benzoate; (Z)-3-Hexen-1-ol benzoate; (Z)-3-Hexen-1-yl-benzoate; Z-Hex-3-en-1-yl benzoate; 3-Hexenyl benzoate, cis-; (Z)-3-Hexenyl benzoate; 3-(Z)-Hexenyl benzoate; (Z)-hex-3-enyl benzoate
- Information on this page:
- Other data available:
- Options:
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 | HP-5 | DB-5 | HP-5MS | HP-5 | DB-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 260. | 280. | 280. | 240. | 280. |
| Heat rate (K/min) | 3. | 3. | 4. | 3. | 4. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | |||||
| I | 1570. | 1559. | 1565. | 1572. | 1580. |
| Reference | Javidnia, Miri, et al., 2006 | Pavlovic, Tzakou, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Flamini, Bader, et al., 2004 | Mardarowicz, Wianowska, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | HP-5 | HP-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | 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) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 240. | 240. | 220. | 280. | 280. |
| Heat rate (K/min) | 3. | 3. | 5. | 4. | 3. |
| Initial hold (min) | 10. | 5. | 5. | ||
| Final hold (min) | 30. | ||||
| I | 1572. | 1571. | 1572. | 1570. | 1570. |
| Reference | Bader, Caponi, et al., 2003 | Flamini, Luigi Cioni, et al., 2003 | Flamini, Luigi Cioni, et al., 2003, 2 | Karioti, Skaltsa, et al., 2003 | Demetzos, Angelopoulou, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | HP-5 | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 50. | 40. |
| Tend (C) | 240. | 280. | 260. | 280. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 3. |
| Initial hold (min) | 5. | 4. | |||
| Final hold (min) | 10. | ||||
| I | 1572. | 1554. | 1570. | 1570. | 1564. |
| Reference | Flamini, Cioni, et al., 2002 | Pitarokili, Couladis, et al., 2002 | Couladis, Baziou, et al., 2001 | Lazari, Skaltsa, et al., 2000 | Ruther, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 30. | 25. | |||
| Carrier gas | He | N2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.33 | |||
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 50. | 100. | 100. | 100. | 100. |
| Tend (C) | 280. | 280. | 280. | 280. | |
| Heat rate (K/min) | 4. | 10. | 2. | 6. | 6. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 1570. | 1558. | 1544. | 1554. | 1551. |
| Reference | Lazari, Skaltsa, et al., 1999 | Korhonen and Lind, 1985 | Korhonen and Lind, 1985 | Korhonen and Lind, 1985 | Korhonen, 1985 |
| 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.
Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Banani, A.,
Volatile oil constituents of Haplophyllum tuberculatum (Forssk.) A. Juss. (Rutaceae) from Iran,
J. Essent. Oil Res., 2006, 18, 4, 355-356, https://doi.org/10.1080/10412905.2006.9699111
. [all data]
Pavlovic, Tzakou, et al., 2006
Pavlovic, M.; Tzakou, O.; Petrakis, P.V.; Couladis, M.,
The essential oil of Hypericum perforatum L., Hypericum tetrapterum Fries and Hypericum olympicum L. growing in Greece,
Flavour Fragr. J., 2006, 21, 1, 84-87, https://doi.org/10.1002/ffj.1521
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Flamini, Bader, et al., 2004
Flamini, G.; Bader, A.; Cioni, P.L.; Katbeh-Bader, A.; Morelli, I.,
Composition of the essential oil of leaves, galls, and ripe and unripe fruits of Jordian Pistacia palaestina Boiss.,
J. Agric. Food Chem., 2004, 52, 3, 572-576, https://doi.org/10.1021/jf034773t
. [all data]
Mardarowicz, Wianowska, et al., 2004
Mardarowicz, M.; Wianowska, D.; Dawidowicz, A.L.; Sawicki, R.,
The influence of sample treatment on SPME extracts from conifers. I. Comparison of terpene composition in Engelmann Spruce (Picea engelmanii) using hydrodistillation, SPME and PLE,
Annales Universitatis Mariae Curie-Sklodowska Lublin - Polonia, 2004, 59, 3, 25-42. [all data]
Bader, Caponi, et al., 2003
Bader, A.; Caponi, C.; Cioni, P.L.; Flamini, G.; Morelli, I.,
Composition of the essential oil of Ballota undulata, B. nigra ssp. foetida and B. saxatilis,
Flavour Fragr. J., 2003, 18, 6, 502-504, https://doi.org/10.1002/ffj.1257
. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Volatiles from leaves, fruits, and virgin oil from Olea europaea Cv. Olivastra Seggianese from Italy,
J. Agric. Food Chem., 2003, 51, 5, 1382-1386, https://doi.org/10.1021/jf020854y
. [all data]
Flamini, Luigi Cioni, et al., 2003, 2
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Variability of the essential oil of Viola etrusca,
Ann. Bot. Rome, 2003, 91, 4, 493-497, https://doi.org/10.1093/aob/mcg039
. [all data]
Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B.,
Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture,
J. Agric. Food Chem., 2003, 51, 22, 6505-6508, https://doi.org/10.1021/jf030308k
. [all data]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [all data]
Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I.,
Analysis of the essential oil of the aerial parts of Viola etrusca from Monte Labbro (South Tuscany, Italy) and in vivo analysis of flower volatiles using SPME,
Flavour Fragr. J., 2002, 17, 2, 147-149, https://doi.org/10.1002/ffj.1060
. [all data]
Pitarokili, Couladis, et al., 2002
Pitarokili, D.; Couladis, M.; Petsikos-Panayotarou, N.; Tzakou, O.,
Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece,
J. Agric. Food Chem., 2002, 50, 23, 6688-6691, https://doi.org/10.1021/jf020422n
. [all data]
Couladis, Baziou, et al., 2001
Couladis, M.; Baziou, P.; Petrakis, P.V.; Harvala, C.,
Essential oil composition of Hypericum perfoliatum L. growing in different locations in Greece,
Flavour Fragr. J., 2001, 16, 3, 204-206, https://doi.org/10.1002/ffj.979
. [all data]
Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece,
Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3
. [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]
Lazari, Skaltsa, et al., 1999
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Essential oils of Marrubium velutinum Sm. and Marrubium peregrinum L., growing wild in Greece,
Flavour Fragr. J., 1999, 14, 5, 290-292, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<290::AID-FFJ828>3.0.CO;2-4
. [all data]
Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A.,
Gas-liquid chromatographic analyses. XXXVIII. Capillary column studies of unsaturated esters of benzoic and monochlorobenzoic acids,
J. Chromatogr., 1985, 324, 113-127, https://doi.org/10.1016/S0021-9673(01)81311-X
. [all data]
Korhonen, 1985
Korhonen, I.O.O.,
Gas-liquid chromatographic analyses. XLIV. Benzoyl and pentafluorobenzoyl esters of lower saturated branched-chain and unsaturated alcohols on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 329, 359-369, https://doi.org/10.1016/S0021-9673(01)81942-7
. [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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