Geranyl propionate
- Formula: C13H22O2
- Molecular weight: 210.3126
- IUPAC Standard InChI: InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
- IUPAC Standard InChIKey: BYCHQEILESTMQU-FMIVXFBMSA-N
- CAS Registry Number: 105-90-8
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (E)-; trans-3,7-Dimethyl-2,6-octadienyl propionate; Geranyl n-propionate; Geranyl n-propanoate; Geranyl propanoate; (2E)-3,7-Dimethyl-2,6-octadienyl propionate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-propanoate, (2E)-; Propionic acid, geranyl ester; (E)-3,7-Dimethyl-2,6-octadien-1-ol propanoate; 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (2E)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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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 | W.Jennings, T.Shibamoto |
| NIST MS number | 285279 |
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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1449.8 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Cross-Linked Methylsilicone | 1449. | 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 | 1453. | Shawl, Srivastava, et al., 2002 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | BP-1 | 1448. | 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 | HP-1 | 1447. | Rajeswara Rao, 2001 | 25. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 220. C |
| Capillary | BP-1 | 1449. | Kulkarni, Mallavarapu, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | Methyl Silicone | 1446. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1447. | Khan, Srivastava, et al., 2003 | 25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) |
| Capillary | HP-5 | 1475. | Shellie and Marriott, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | BP-1 | 1447. | Khan, Srivastava, et al., 2002 | 30. m/0.32 mm/0.25 μm, N2; Program: 60 C 5 C/min -> 220 C (5 min) 3 C/min -> 245 C (5 min) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 150. | 1819. | Tudor, Moldovan, et al., 1999 | Phase thickness: 0.08 μm |
| Packed | Carbowax 20M | 150. | 1834. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1817. | Kulkarni, Mallavarapu, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 200. C |
| Capillary | Carbowax 20M | 1823. | 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-1 | 1448. | Ramezani, Behravan, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 2.5 K/min; Tstart: 50. C; Tend: 265. C |
| Capillary | 5 % Phenyl methyl siloxane | 1430. | Estevez, Ventanas, et al., 2005 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
| Capillary | HP-5MS | 1478. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | HP-5 | 1476. | Isidorov, Krajewska, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 250. C |
| Capillary | BP-1 | 1451. | Raina, Kumar, et al., 2004 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | DB-5 | 1444. | bin Jantan, Yassin, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min; Tend: 230. C |
| Capillary | HP-5 | 1479. | Shellie and Marriott, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
| Capillary | DB-5 | 1475. | Miri, Ramezani, et al., 2002 | He, 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 260. C |
| Capillary | SE-30 | 1444. | bin Jantan, Basni, et al., 2001 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | HP-5 | 1475. | Song, Sawamura, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 70. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1450. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1814. | Njoroge, Koaze, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1830. | Choi and Sawamura, 2000 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1478. | Scrivanti, Anton, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; Tstart: 40. C; Tend: 230. C |
| Capillary | HP-5 | 1475. | Aicha, Ines, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
| Capillary | HP-5MS | 1485. | Argyropoulou, Daferera, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5MS | 1473. | Ferhat, Meklati, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 1487. | Ristic, Krivokuca-Dokic, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | NB-30 | 1452. | Orav, Raal, et al., 2006 | 30. m/0.2 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1475. | 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 | DB-1 | 1451. | Palá-Paúl, Pérez-Alonso, et al., 2002 | 50. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 80. C; Tend: 225. C |
| Capillary | BP-1 | 1448. | Gupta, Mallavarapu, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | BP-1 | 1447. | 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 | 1477. | 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 | DB-1 | 1453. | Delort and Jaquier, 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) |
| Capillary | HP-5 | 1478. | Ristic, Krivokuca-Dokic, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1 | 1461. | Miguel, Simões, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
| Capillary | SE-30 | 1424. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 5 CB | 1447. | Weyerstahl, Marschall, et al., 1999 | 25. m/0.25 mm/0.39 μm, N2; Program: not specified |
| Capillary | DB-1 | 1425. | Vernin, 1993 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax | 1802. | Ferhat, Meklati, et al., 2007 | 60. m/0.2 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | DB-Wax | 1815. | Lan Phi N.T., Nishiyama C., et al., 2006 | 60. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| 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 | Carbowax 20M | 1799. | Babu and Kaul, 2005 | 60. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 10. K/min, 190. C @ 15. min |
| Capillary | DB-Wax | 1814. | Njoroge, Koaze, et al., 2005, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1828. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1830. | Choi, 2004, 2 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1827. | Sawamura, Son, et al., 2004 | 60. m/0.25 mm/0.25 μm, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
| Capillary | DB-Wax | 1827. | Sawamura, Sou, et al., 2004 | 60. m/0.25 mm/0.25 μm, Nitrogen, 70. C @ 2. min, 2. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1812. | Aicha, Ines, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Carbowax 20M | 1799. | Vinogradov, 2004 | Program: not specified |
| Capillary | WAX 51 | 1800. | Vernin, 1993 | Program: not specified |
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.
Tudor, 1997
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Analysis of the essential oil of Thymus eriocalyx from Iran,
Flavour Fragr. J., 2004, 19, 4, 341-343, https://doi.org/10.1002/ffj.1312
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2002
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the volatile components of Ageratina adenophora Spreng., growing in the Canary Islands,
J. Chromatogr. A, 2002, 947, 2, 327-331, https://doi.org/10.1016/S0021-9673(02)00016-X
. [all data]
Gupta, Mallavarapu, et al., 2001
Gupta, R.; Mallavarapu, G.R.; Banerjee, S.; Kumar, S.,
Characteristics of an isomenthone-rich somaclonal mutant isolated in a geraniol-rich rose-scented geranium accession of Pelargonium graveolens,
Flavour Fragr. J., 2001, 16, 5, 319-324, https://doi.org/10.1002/ffj.1002
. [all data]
Rajeswara, Kaul, et al., 1996
Rajeswara, B.R.; Kaul, P.N.; Bhattacharya, A.K.; Mallavarapu, G.R.; Ramesh, S.,
Yield and chemical composition of the essential oils of three Cymbopogon species suffering from iron chlorosis,
Flavour Fragr. J., 1996, 11, 5, 289-293, https://doi.org/10.1002/(SICI)1099-1026(199609)11:5<289::AID-FFJ590>3.0.CO;2-7
. [all data]
Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N.,
Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing,
J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [all data]
Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L.,
Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina,
Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Eckhardt. A.; Christiansen, C.,
Constituents of commercial Brazilian Iantana oil,
Flavour Fragr. J., 1999, 14, 1, 15-28, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M
. [all data]
Vernin, 1993
Vernin, G.,
Mass spectra and Kovats indices of some phenylpropanoic acid esters found in the essential oil of Cistus ladaniferus L.,
J. Essent. Oil Res., 1993, 5, 5, 563-569, https://doi.org/10.1080/10412905.1993.9698280
. [all data]
Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M.,
Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil,
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. [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]
Njoroge, Koaze, et al., 2005, 2
Njoroge, S.M.; Koaze, H.; Mwaniki, M.; Minh Tu, N.T.; Sawamura, M.,
Essential oils of Kenyan Citrus fruits: volatile components of two varieties of mandarins (Citrus reticulata) and a tangelo (C. paradisi × C. tangerina),
Flavour Fragr. J., 2005, 20, 1, 74-79, https://doi.org/10.1002/ffj.1376
. [all data]
Choi, 2004
Choi, H.-S.,
Volatile constituents of satsuma mandarins growing in Korea,
Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283
. [all data]
Choi, 2004, 2
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Sawamura, Son, et al., 2004
Sawamura, M.; Son, U.-S.; Choi, H.-S.; Kim, M.-S.L.; Phi, N.T.L.; Fears, M.; Kumagai,
Compositional changes in commercial lemon essential oil for aromatherapy,
Int. J. Aromatherapy, 2004, 14, 1, 27-36, https://doi.org/10.1016/j.ijat.2004.02.001
. [all data]
Sawamura, Sou, et al., 2004
Sawamura, M.; Sou, U.-S.; Choi, H.-S.; Kim, M.-S.; Phi, N.T.L.; Fears, M.; Kumagai. C.,
Composition changes in commercial lemon essential oil for aromatherapy,
Int. J. Aromatherapy, 2004, 14, 1, 27-36, https://doi.org/10.1016/j.ijat.2004.02.001
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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