Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- Formula: C14H24O
- Molecular weight: 208.3398
- IUPAC Standard InChI: InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-
- IUPAC Standard InChIKey: OGJYXQFXLSCKTP-LCYFTJDESA-N
- CAS Registry Number: 2345-26-8
- 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. - Species with the same structure:
- Other names: Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-; Geranyl isobutyrate; Isobutyric acid, (E)-3,7-dimethyl-2,6-octadienyl ester; 3,7-Dimethyl-2,6-octadienyl isobutyrate; Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester,; trans-3-7-Dimethyl-2,6-octadienyl isobutyrate; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, trans-; 2,6-Octadien-1-ol, 3,7-dimethyl-, isobutyrate, trans-; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester,; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (E)-; Propionic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-; Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, trans-; Geranyl 2-methylpropanoate; Geranyl isobutanoate; Geraniol isobutyrate; Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester; Propanoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester; (E)-3,7-Dimethylocta-2,6-dien-1-yl isobutyrate; (2E)-3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate; Neryl iso-butyrate
- Information on this page:
- Other data available:
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 164390 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1516. | Bouzouita, Kachouri, et al., 2003 | 30. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min; Tend: 250. C |
| Capillary | Cross-Linked Methylsilicone | 1491. | Rajeswara Rao, Kaul, et al., 2002 | 50. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 280. C |
| Capillary | BP-1 | 1487. | Jain, Aggarwal, et al., 2001 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | Methyl Silicone | 1489. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-5 | 1513. | Loayza, Abujder, et al., 1995 | 40. C @ 2. min, 2. K/min, 210. C @ 120. min; Column length: 30. m |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1495. | Raina, Srivastava, et al., 2003 | 25. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1821. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax | 1860. | Riu-Aumatell, Castellari, et al., 2004 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
| Capillary | Carbowax 20M | 1788. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1511. | Silva, Barbosa, et al., 2007 | 30. m/0.22 mm/0.25 μm, He, 55. C @ 2. min, 3. K/min, 240. C @ 15. min |
| Capillary | DB-5 | 1514. | Masoudi, Esmaeili, et al., 2006 | 50. m/0.2 mm/0.32 μm, N2, 60. C @ 3. min, 5. K/min, 220. C @ 5. min |
| Capillary | HP-5 | 1518. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1515.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1514. | Sonboli, Kanani, et al., 2007 | 60. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | HP-5MS | 1514. | Farah, Afifi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1493. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
| Capillary | DB-5 | 1514. | Kalvandi, Sefidkon, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min; Tend: 280. C |
| Capillary | BP-1 | 1491. | Rajeswara, Kaul, et al., 1996 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.50 mm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1492. | Sharopov, Sulaimonova, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1517. | Nance and Setzer, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1491. | Nance and Setzer, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | CP Sil 8 CB | 1515. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | SE-30 | 1493. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | NB-20M | 1770. | Orav, Raal, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | Innowax | 1819. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax FSP | 1819. | Tabanca N., Demirci B., et al., 2007 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1795. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-Innowax | 1819. | Baser, Demirci, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bouzouita, Kachouri, et al., 2003
Bouzouita, N.; Kachouri, F.; Hamdi, M.; Chaabouni, M.M.,
Antimicrobial activity of essential oils from Tunisian aromatic plants,
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Rajeswara Rao, Kaul, et al., 2002
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S.,
Water soluble fractions of rose scented geranium (Pelargonium species) essential oil,
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Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S.,
Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India,
Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X
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Mallavarapu, Rao, et al., 1998
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Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
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Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
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Raina, Srivastava, et al., 2003
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Essential oil composition of Cymbopogon martinii from different places in India,
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Studies on terpenes. II. Characterization of monoterpene esters by gas and thin-layer chromatography,
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Riu-Aumatell, Castellari, et al., 2004
Riu-Aumatell, M.; Castellari, M.; López-Tamames, E.; Galassi, S.; Buxaderas, S.,
Characterisation of volatile compounds of fruit juices and nectars by HS/SPME and GC/MS,
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Silva, C.J.; Barbosa, L.C.A.; Maltha, C.R.A.; Pinheiro, A.L.; Ismail, F.M.D.,
Comparative study of the essential oils of seven Melaleuca (Myrtaceae) species grown in Brazil,
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Masoudi, Esmaeili, et al., 2006
Masoudi, S.; Esmaeili, A.; Khalilzadeh, M.A.; Rustaiyan, A.; Moazami, N.; Akhgar, M.R.; Varavipoor, M.,
Volatile constituents of Dorema aucheri Boiss., Seseli libanotis (L.) W. D. Koch var. armeniacum bordz. and Conium maculatum L. three Umbelliferae herbs growing wild in Iran,
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Mahattanatawee, Goodner, et al., 2005
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Volatile constituents and character impact compounds of selected Florida's tropical fruit,
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Sonboli, Kanani, et al., 2007
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Biological activity and composition of the essential oil of Tetrataenium nephrophyllum (Apiaceae) from Iran,
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Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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