5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
- Formula: C18H30O
- Molecular weight: 262.4302
- IUPAC Standard InChI: InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
- IUPAC Standard InChIKey: LTUMRKDLVGQMJU-IUBLYSDUSA-N
- CAS Registry Number: 1117-52-8
- 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: Farnesyl acetone; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; (E,E)-5,9-Farnesyl acetone; (E,E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
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- Other data available:
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Normal alkane RI, polar column, custom temperature program
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-Innowax | HP-Innowax FSC | Innowax FSC | HP-Innowax FSC | HP-Innowax FSC |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | N2 | He | He | He | 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 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 2384. | 2386. | 2384. | 2386. | 2386. |
| Reference | Duman, Kartal, et al., 2005 | Sezik E., Kocakulak E., et al., 2005 | Baser, Özek, et al., 2004 | Demirci, Baser, et al., 2003 | Erdemoglu, Sener, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | Innowax FSC | Innowax | Supelcowax 10 | Supelcowax 10 |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | Helium | Helium | |
| 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 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified |
| I | 2384. | 2384. | 2384. | 2364. | 2375. |
| Reference | Tabanca N., Demirci F., et al., 2001 | Kirimer, Tabanca, et al., 2000 | Baser, Kürkcüoglu, et al., 1998 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Supelcowax 10 |
| Column length (m) | 60. |
| Carrier gas | Helium |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | not specified |
| I | 2376. |
| Reference | Castioni and Kapetanidis, 1996 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Duman, Kartal, et al., 2005
Duman, H.; Kartal, M.; Altun, L.; Demirci, B.; Baser, K.H.C.,
The essential oil of Stachys laetivirens Kotschy Boiss. ex Rech. fil., endemic in Turkey,
Flavour Fragr. J., 2005, 20, 1, 48-50, https://doi.org/10.1002/ffj.1362
. [all data]
Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T.,
Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0
. [all data]
Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F.,
Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey,
J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728
. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C.,
The glycosidically bound volatile compounds of Taxus baccata,
Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960
. [all data]
Tabanca N., Demirci F., et al., 2001
Tabanca N.; Demirci F.; Ozek T.; Tumen G.; Baser K.H.C.,
Composition and antimicrobial activity of the essential oil of Origanum x dolichosiphon P. H. Davis,
Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 3, 238-241, https://doi.org/10.1023/A:1012513922871
. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106
. [all data]
Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z.,
Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey,
Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z
. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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