Geranyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N
- CAS Registry Number: 105-87-3
- 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:
- Stereoisomers:
- Other names: 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-; Acetic acid, geraniol ester; Bay pine (oyster) oil; Geraniol acetate; trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate; NCI-C54728; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-; 3,7-Dimethyl-2-trans, 6-octadienyl acetate; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate; Geranyl ethanoate; (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; Meraneine; trans-Geranyl acetate; 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-; 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-; NSC 2584; (2E)-3,7-Dimethyl-2,6-octadienyl acetate; (E)-3,7-Dimethyl-2,6-octadien-1-ol acetate
- Information on this page:
- Other data available:
- Options:
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Kovats' RI, non-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 | DB-1 | HP-5MS | HP-5MS | DB-5MS | HP-5 |
Column length (m) | 30. | 30. | 60. | 30. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
Tstart (C) | 50. | 60. | 40. | 60. | 60. |
Tend (C) | 280. | 280. | 250. | 280. | 240. |
Heat rate (K/min) | 5. | 2. | 3. | 3. | 3. |
Initial hold (min) | 3. | 8. | 1. | ||
Final hold (min) | 30. | 20. | 30. | ||
I | 1363. | 1392. | 1386. | 1354. | 1386. |
Reference | Allegrone, Belliardo, et al., 2006 | Hazzit, Baaliouamer, et al., 2006 | Jalali-Heravi, Zekavat, et al., 2006 | Marongiu, Porcedda, et al., 2006 | Oliveira, Leitao, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | CP Sil 8 CB | DB-5 | HP-5MS | BP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | H2 | H2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.26 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 60. | 50. | 50. |
Tend (C) | 220. | 220. | 246. | 250. | 260. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 5. |
Initial hold (min) | 2. | 2. | 10. | 2. | |
Final hold (min) | 5. | 5. | |||
I | 1376. | 1376. | 1381. | 1383. | 1389. |
Reference | Tayoub, Schwob, et al., 2006 | Tayoub, Schwob, et al., 2006, 2 | Adams, Morris, et al., 2005 | Asuming, Beauchamp, et al., 2005 | Baranauskiene, Venskutonis, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | DB-5 | CP Sil 5 CB | SPB-1 |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | H2 | H2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | 0.25 |
Tstart (C) | 60. | 60. | 40. | 50. | 50. |
Tend (C) | 245. | 245. | 280. | 230. | 250. |
Heat rate (K/min) | 5. | 5. | 4. | 3. | 2. |
Initial hold (min) | 2. | ||||
Final hold (min) | 10. | 10. | 30. | 5. | |
I | 1356. | 1356. | 1372. | 1360. | 1370. |
Reference | Rajeswara Rao, Kaul, et al., 2005 | Rao, Kaul, et al., 2005 | Avato, Raffo, et al., 2004 | Ogunwande, Olawore, et al., 2004 | Yadav, Chauhan, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | BP-1 | DB-1 | BP-1 |
Column length (m) | 50. | 30. | 25. | 25. | 25. |
Carrier gas | He | He | N2 | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.55 | 0.2 | 0.55 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | |
Tstart (C) | 50. | 40. | 60. | 60. | 60. |
Tend (C) | 280. | 250. | 220. | 220. | 220. |
Heat rate (K/min) | 5. | 5. | 5. | 3. | 5. |
Initial hold (min) | 2. | 1. | |||
Final hold (min) | 10. | 15. | 15. | ||
I | 1390. | 1386. | 1368. | 1392. | 1359. |
Reference | Baranauskiene, Venskutonis, et al., 2003 | Bouzouita, Kachouri, et al., 2003 | Srivastava, Ahmad, et al., 2003 | Mevy, Bessiere, et al., 2002 | Raina, Srivastava, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | BP-1 | DB-5 | BP-1 | HP-1 |
Column length (m) | 25. | 25. | 25. | 25. | 25. |
Carrier gas | N2 | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.5 | 0.5 | 0.20 | 0.55 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 60. | 100. |
Tend (C) | 220. | 220. | 240. | 220. | 220. |
Heat rate (K/min) | 5. | 5. | 5. | 5. | 4. |
Initial hold (min) | |||||
Final hold (min) | 10. | 10. | 15. | ||
I | 1362. | 1362. | 1384. | 1359. | 1358. |
Reference | Rajeswara Rao, 2002 | Rao B.R.R., 2002 | Akrout, Chemli, et al., 2001 | Jain, Aggarwal, et al., 2001 | Rajeswara Rao, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | BP-1 | DB-5 | BP-1 | DB-5 |
Column length (m) | 30. | 25. | 30. | 25. | 30. |
Carrier gas | He | N2 | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.5 | 0.25 | 0.50 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 240. | 220. | 180. | 220. | 246. |
Heat rate (K/min) | 3. | 5. | 2. | 5. | 3. |
Initial hold (min) | |||||
Final hold (min) | 10. | 10. | |||
I | 1383. | 1362. | 1391. | 1362. | 1383. |
Reference | Adams, 2000 | Rao, Kaul, et al., 2000 | Rao, Rout, et al., 2000 | Rao, Sastry, et al., 2000 | Adams, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | BP-1 | BP-1 | DB-1 | CP Sil 5 CB |
Column length (m) | 30. | 50. | 50. | 60. | 25. |
Carrier gas | 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 | |
Tstart (C) | 60. | 60. | 60. | 50. | 60. |
Tend (C) | 280. | 260. | 260. | 250. | 280. |
Heat rate (K/min) | 4. | 2. | 2. | 3. | 5. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | ||||
I | 1383. | 1359. | 1364. | 1358. | 1360. |
Reference | Sajjadi and Ghassemi, 1999 | Vera and Chane-Ming, 1999 | Vera and Chane-Ming, 1999 | Bylaite, Venskutonis, et al., 1998 | Kaul and Vats, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | Methyl Silicone | OV-1 | SE-30 | SE-30 |
Column length (m) | 25. | 25. | 30. | 25. | 25. |
Carrier gas | N2 | N2 | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.5 | 0.31 | 0.2 | 0.2 |
Phase thickness (μm) | 3. | ||||
Tstart (C) | 60. | 60. | 70. | 60. | 60. |
Tend (C) | 220. | 220. | 280. | 180. | 180. |
Heat rate (K/min) | 5. | 5. | 10. | 3. | 3. |
Initial hold (min) | 10. | 10. | |||
Final hold (min) | 1. | 1. | |||
I | 1357. | 1362. | 1365. | 1359. | 1363. |
Reference | Kulkarni, Mallavarapu, et al., 1998 | Mallavarapu, Rao, et al., 1998 | Afsharypuor, Asgary, et al., 1996 | Jantan, Ahmad, et al., 1996 | Jantan, Ali, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-5 | OV-101 |
Column length (m) | 30. | 100. |
Carrier gas | H2 | |
Substrate | ||
Column diameter (mm) | 0.3 | |
Phase thickness (μm) | 0.15 | |
Tstart (C) | 40. | 90. |
Tend (C) | 210. | 220. |
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | 2. | |
Final hold (min) | 120. | |
I | 1385. | 1360. |
Reference | Loayza, Abujder, et al., 1995 | Gaydou, Randriamiharisoa, et al., 1986 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-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.
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Allegrone, G.; Belliardo, F.; Cabella, P.,
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Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
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Biomass and essential oil yields of rainfed palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.) supplied with different levels of organic manure and fertilizer nitrogen in semi-arid tropical climate,
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Adams, 1999
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Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
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Sajjadi and Ghassemi, 1999
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Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
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Bylaite, Venskutonis, et al., 1998
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Kaul and Vats, 1998
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Essential oil composition of Bothriochloa pertusa and phyletic relationship in aromatic grasses,
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Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
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. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
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