Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- Formula: C14H24O
- Molecular weight: 208.3398
- IUPAC Standard InChI: InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
- IUPAC Standard InChIKey: ZSBOMYJPSRFZAL-JLHYYAGUSA-N
- CAS Registry Number: 106-29-6
- 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: Butyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; Geraniol butyrate; Geranyl butyrate; Geranyl butanoate; Geranyl n-butyrate; n-Butyric acid, geranyl ester; (E)-3,7-dimethylocta-2,6-dien-1-yl butyrate; (2E)-3,7-Dimethyl-2,6-octadienyl butyrate
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Normal alkane RI, 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 | RTX-Wax | NB-20M | DB-Wax | Carbowax 20M | CP-Wax 52CB |
| Column length (m) | 60. | 30. | 30. | 60. | 50. |
| Carrier gas | Helium | He | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.2 | 0.25 | 0.25 | 0.30 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 40. | 40. |
| Tend (C) | 230. | 250. | 200. | 190. | 220. |
| Heat rate (K/min) | 2. | 2. | 8. | 10. | 3. |
| Initial hold (min) | 3. | 2. | 5. | ||
| Final hold (min) | 30. | 20. | 15. | ||
| I | 1877. | 1877. | 1888. | 1872. | 1872. |
| Reference | Dib, Djabou, et al., 2010 | Orav, Raal, et al., 2006 | Schirack, Drake, et al., 2006 | Babu and Kaul, 2005 | Chagonda, Makanda, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 60. |
| Carrier gas | Nitrogen | H2 | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Tstart (C) | 40. | 60. | 50. |
| Tend (C) | 200. | 220. | 180. |
| Heat rate (K/min) | 2. | 3. | 2.5 |
| Initial hold (min) | 10. | 5. | |
| Final hold (min) | |||
| I | 1900. | 1890. | 1871. |
| Reference | Tamura, Boonbumrung, et al., 2000 | Werkhoff, Güntert, et al., 1998 | Stashenko, Puertas, et al., 1996 |
| Comment | 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.
Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T.,
Composition of the essential oil of Artemisia absinthium L. of different geographical origin,
Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]
Schirack, Drake, et al., 2006
Schirack, A.V.; Drake, M.A.; Sander, T.H.; Sandeep, K.P.,
Characterization of aroma-active compounds in microwave blanched peanuts,
J. Food Sci., 2006, 71, 9, c513-c520, https://doi.org/10.1111/j.1750-3841.2006.00173.x
. [all data]
Babu and Kaul, 2005
Babu, K.G.D.; Kaul, V.K.,
Variation in essential oil composition of rose-scented geranium (Pelargonium sp.) distilled by different distillation techniques,
Flavour Fragr. J., 2005, 20, 2, 222-231, https://doi.org/10.1002/ffj.1414
. [all data]
Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.; Chalchat, J.-C.,
The essential oils of wild and cultivated Cymbopogon validus (Stapf) Stapf ex Burtt Davy and Elionurus muticus (Spreng.) Kunth from Zimbabwe,
Flavour Fragr. J., 2000, 15, 2, 100-104, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<100::AID-FFJ874>3.0.CO;2-Y
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Stashenko, Puertas, et al., 1996
Stashenko, E.E.; Puertas, M.A.; Combariza, M.Y.,
Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction,
J. Chromatogr. A, 1996, 752, 1-2, 223-232, https://doi.org/10.1016/S0021-9673(96)00480-3
. [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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