ethyl (E)-4-octenoate

Formula: C₁₀H₁₈O₂
Molecular weight: 170.2487
IUPAC Standard InChI: InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
IUPAC Standard InChIKey: WRUZCQAJIHSQPL-VOTSOKGWSA-N
CAS Registry Number: 78989-37-4
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- Ethyl 4-octenoate
Stereoisomers:
- 4-Octenoic acid, ethyl ester, (Z)-
Other names: ethyl (E)-3-octenoate; Ethyl trans-4-octenoate; ethyl (E)-oct-4-enoate
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1172.	Takeoka, Buttery, et al., 1992	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C
Capillary	DB-1	1173.	Takeoka, Buttery, et al., 1992	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C
Capillary	DB-1	1169.	Takeoka, Flath, et al., 1990	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C
Capillary	DB-1	1169.	Takeoka, Flath, et al., 1990	60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; T_end: 210. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1184.	Andrade, Santos, et al., 1998	30. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	1177.	Pino, Marbot, et al., 2001	50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min

Column type	Active phase	I	Reference	Comment
Capillary	AT-Wax	1483.	Pino, Marbot, et al., 2001	60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1169.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	DB-1	1169.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C

Go To: Top, Gas Chromatography, Notes

Takeoka, Buttery, et al., 1992
Takeoka, G.R.; Buttery, R.G.; Flath, R.A., Volatile constituents of Asian pear (Pyrus serotina), J. Agric. Food Chem., 1992, 40, 10, 1925-1929, https://doi.org/10.1021/jf00022a040 . [all data]

Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M., Volatile Constituents of Apricot (Prunus armeniaca), J. Agric. Food Chem., 1990, 38, 2, 471-477, https://doi.org/10.1021/jf00092a031 . [all data]

Andrade, Santos, et al., 1998
Andrade, E.H.A.; Santos, A.S.; Zoghbi, M.G.B.; Maia, J.G.S., Volatile constituents of fruits of Astrocarium vulgare Mart. and Bactris gasipaes H.B.K. (Arecaceae), Flavour Fragr. J., 1998, 13, 3, 151-153, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<151::AID-FFJ712>3.0.CO;2-E . [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]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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