9,12,15-Octadecatrienoic acid
- Formula: C18H30O2
- Molecular weight: 278.4296
- IUPAC Standard InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+
- IUPAC Standard InChIKey: DTOSIQBPPRVQHS-IUQGRGSQSA-N
- CAS Registry Number: 1955-33-5
- 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. - Stereoisomers:
- Other names: Octadeca-9,12,15-trienoic acid
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Gas Chromatography
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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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2117. | Pala-Paul J., Perez-Alonso M.J., et al., 2006 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 95. C; Tend: 240. C |
| Capillary | DB-5 | 2125. | Senatore, Landolfi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | NB-351 | 3554. | Onocha, Ekundayo, et al., 1999 | 25. m/0.3 mm/0.5 μm, H2, 70. C @ 2. min, 5. K/min; Tend: 250. C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J.,
Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain,
Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727
. [all data]
Senatore, Landolfi, et al., 2006
Senatore, F.; Landolfi, S.; Celik, S.; Bruno, M.,
Volatile components of Centaurea calcitrapa L. and Centaurea sphaerocephala L. ssp. sphaerocephala, two Asteraceae growing wild in Sicily,
Flavour Fragr. J., 2006, 21, 2, 282-285, https://doi.org/10.1002/ffj.1585
. [all data]
Onocha, Ekundayo, et al., 1999
Onocha, P.A.; Ekundayo, O.; Oyelola, O.; Laakso, I.,
Essential oils of Dacryodes edulis (G. Don) H. J. Lam (African pear),
Flavour Fragr. J., 1999, 14, 2, 135-139, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<135::AID-FFJ788>3.0.CO;2-L
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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