9,12-Octadecadienoic acid (Z,Z)-, methyl ester
- Formula: C19H34O2
- Molecular weight: 294.4721
- IUPAC Standard InChI: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
- IUPAC Standard InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N
- CAS Registry Number: 112-63-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Linoleic acid, methyl ester; Methyl cis,cis-9,12-octadecadienoate; Methyl linoleate; Methyl 9-cis,12-cis-octadecadienoate; 9,12-Octadecadienoic acid, methyl ester, (Z,Z); cis-9,cis-12-Octadecadienoic acid, methyl ester; cis-Linoleic acid methyl ester; Methyl (Z,Z)-9,12-octadecadienoate; (Z,Z)-9,12-octadecadienoic acid methyl ester; (9Z,12Z)-Octadecadienoic acid methyl ester; 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester; Methyl linolate; methyl (Z,Z)-9,12-octadienoate; Natural methyl linoleate
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Normal alkane RI, polar column, temperature ramp
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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 | AT-Wax | TC-FFAP | ZB-Wax | ZB-Wax | ZB-Wax |
| Column length (m) | 60. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | He | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.4 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 40. | 40. |
| Tend (C) | 280. | 220. | 250. | 250. | 250. |
| Heat rate (K/min) | 4. | 3. | 5. | 5. | 5. |
| Initial hold (min) | 2. | 2. | 2. | ||
| Final hold (min) | 30. | 5. | 5. | 5. | |
| I | 2472. | 2503. | 2472. | 2472. | 2474. |
| Reference | Kiss, Csoka, et al., 2011 | Kurose and Yatagai, 2005 | N/A | N/A | N/A |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-Wax | ZB-Wax | TC-Wax | TC-Wax | TC-Wax |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | Helium | Helium | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 40. | 40. | 80. | 80. | 80. |
| Tend (C) | 250. | 250. | 250. | 240. | 240. |
| Heat rate (K/min) | 5. | 5. | 4. | 3. | 3. |
| Initial hold (min) | 2. | 2. | 5. | ||
| Final hold (min) | 5. | 5. | 30. | ||
| I | 2476. | 2480. | 2502. | 2482. | 2455. |
| Reference | N/A | N/A | Miyazawa and Okuno, 2003 | Miyazawa, Yamafuji, et al., 2003 | Shuichi, Masazumi, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Kiss, Csoka, et al., 2011
Kiss, M.; Csoka, M.; Gyorfi, J.; Korany, K.,
Comparison of the fragrance constituents of Tuber aestivium and Tuber Brumale gathered in Hungary,
J. Appl. Botany Food Quality, 2011, 84, 102-110. [all data]
Kurose and Yatagai, 2005
Kurose, K.; Yatagai, M.,
Components of the essential oils of Azadirachta indica A. Juss, Azadirachta siamensis Velton, and Azadirachta excelsa (Jack) Jacobs and their comparison,
J. Wood Sci., 2005, 51, 2, 185-188, https://doi.org/10.1007/s10086-004-0640-4
. [all data]
Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y.,
Volatile components from the roots of Scrophularia ningpoensis Hemsl.,
Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232
. [all data]
Miyazawa, Yamafuji, et al., 2003
Miyazawa, M.; Yamafuji, C.; Kurose, K.; Ishikawa, Y.,
Volatile components of the rhizomes of Cirsium japonicum DC,
Flavour Fragr. J., 2003, 18, 1, 15-17, https://doi.org/10.1002/ffj.1135
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Notes
Go To: Top, Normal alkane RI, 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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