9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)-
- Formula: C20H34O2
- Molecular weight: 306.4828
- IUPAC Standard InChI: InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-
- IUPAC Standard InChIKey: JYYFMIOPGOFNPK-AGRJPVHOSA-N
- CAS Registry Number: 1191-41-9
- 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:
- Other names: Linolenic acid, ethyl ester; Ethyl cis,cis,cis-9,12,15-octadecatrienoate; Ethyl linolenate; Ethyl α-linolenate; Ethyl (Z,Z,Z)-9,12,15-octadecatrienoate; 9,12,15-Octadecatrienoic acid, ethyl ester, (9Z,12Z,15Z)-; ethyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
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Normal alkane 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 | SPB-1 | HP-5MS | Elite-5MS | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 40. | 60. | 40. |
| Tend (C) | 250. | 200. | 280. | 220. | 250. |
| Heat rate (K/min) | 5. | 1. | 4. | 4. | 2. |
| Initial hold (min) | 3. | 1. | 5. | 5. | |
| Final hold (min) | 15. | 10. | 20. | ||
| I | 2145. | 2215. | 2159. | 2214. | 2185. |
| Reference | Lazarevic, Palic, et al., 2010 | Calyecac-cortero, Cibrian-Tovar, et al., 2007 | Tava, Pecetti, et al., 2007 | Morteza-Semnani, Akbarzadeh, et al., 2006 | Senatore, Rigano, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SPB-5 |
| Column length (m) | 30. |
| Carrier gas | Helium |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 250. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 2. |
| Final hold (min) | 20. |
| I | 2178. |
| Reference | Pino, Marbot, et al., 2002 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S.,
Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species,
J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L
. [all data]
Calyecac-cortero, Cibrian-Tovar, et al., 2007
Calyecac-cortero, H.G.; Cibrian-Tovar, J.; Soto-Hernandez, M.; Garcia-Velasco, R.,
Aislamento e identificacion de volatiles de Physalis philadelphica LAM. (Isolation and identification of Physalis philadelphica LAM. volatiles),
Agrociencia, 2007, 41, 337-346. [all data]
Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L.,
Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy,
Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806
. [all data]
Morteza-Semnani, Akbarzadeh, et al., 2006
Morteza-Semnani, K.; Akbarzadeh, M.; Changizi, S.,
Essential oils composition of Stachys byzantina, S. inflata, S. lavandulifolia and S. laxa from Iran,
Flavour Fragr. J., 2006, 21, 2, 300-303, https://doi.org/10.1002/ffj.1594
. [all data]
Senatore, Rigano, et al., 2004
Senatore, F.; Rigano, D.; de Fusco, R.; Bruno, M.,
Composition of the essential oil from flowerheads of Chrysanthemum coronarium L. (Asteraceae) growing wild in Southern Italy,
Flavour Fragr. J., 2004, 19, 2, 149-152, https://doi.org/10.1002/ffj.1285
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Notes
Go To: Top, Normal alkane 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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