4-Terpinenyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-9(2)12(14-11(4)13)7-5-10(3)6-8-12/h5,9H,6-8H2,1-4H3
- IUPAC Standard InChIKey: BFCBRSFYYLSTAA-UHFFFAOYSA-N
- CAS Registry Number: 4821-04-9
- 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: 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate; p-Menth-1-en-4-ol, acetate; Terpinene 4-acetate; 1-Terpinen-4-ol acetate; 4-Terpineol acetate; Terpin-4-yl acetate; Terpinen-4-ol, acetate; Terpinen-4-yl acetate; Terpinene-4-yl acetate; 1-(Isopropyl)-4-methylcyclohex-3-en-1-yl acetate; 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate; Menthyl-1-en-4-ol acetate; Terpin-1-en-4-yl acetate
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | RTX-5 MS | HP-1 | HP-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | N2 | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 40. | 50. | 50. |
| Tend (C) | 240. | 240. | 240. | 240. | 250. |
| Heat rate (K/min) | 3. | 3. | 4. | 5. | 4. |
| Initial hold (min) | 4. | 1. | |||
| Final hold (min) | 4. | ||||
| I | 1341. | 1289. | 1301. | 1300. | 1335. |
| Reference | Pinheiro, de Queiros, et al., 2013 | Alizadeh, Khosh-Khui, et al., 2011 | Zhannan, Shiqiong, et al., 2009 | Cheraif, Ben Jannet, et al., 2007 | Pontes, de Olivera, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | HP-5MS | DB-1 | 5 % Phenyl methyl siloxane |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | N2 | He | He | 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 |
| Tstart (C) | 50. | 50. | 50. | 50. | 60. |
| Tend (C) | 280. | 280. | 250. | 265. | 280. |
| Heat rate (K/min) | 9. | 9. | 2. | 2.5 | 3. |
| Initial hold (min) | 3. | 3. | 1. | ||
| Final hold (min) | 3. | 3. | 20. | 30. | |
| I | 1325. | 1328. | 1340. | 1274. | 1310. |
| Reference | Abdelwahed, Hayder, et al., 2006 | Abdelwahed, Hayder, et al., 2006 | Farah, Afifi, et al., 2006 | Iranshahi, Amin, et al., 2006 | Marongiu, Piras, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | HP-5 | DB-1 | HP-5 |
| Column length (m) | 50. | 30. | 25. | 25. | 30. |
| Carrier gas | N2 | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Tstart (C) | 95. | 60. | 60. | 50. | 60. |
| Tend (C) | 240. | 220. | 240. | 250. | 250. |
| Heat rate (K/min) | 4. | 5. | 3. | 3. | 5. |
| Initial hold (min) | 10. | 3. | 3. | ||
| Final hold (min) | |||||
| I | 1321. | 1301. | 1342. | 1338. | 1282. |
| Reference | Pala-Paul J., Perez-Alonso M.J., et al., 2006 | Pintore G., Chessa M., et al., 2006 | Potzernheim, Bizzo, et al., 2006 | Cégiéla-Carlioz, Bessière, et al., 2005 | Aghel, Yamini, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | RSL-200 | DB-1 | OV-1 |
| Column length (m) | 30. | 60. | 25. |
| Carrier gas | H2 | He | H2 |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. |
| Tend (C) | 280. | 280. | 220. |
| Heat rate (K/min) | 6. | 4. | 3. |
| Initial hold (min) | 5. | 5. | 5. |
| Final hold (min) | 5. | 5. | |
| I | 1281. | 1281. | 1270. |
| Reference | Jirovetz, Buchbauer, et al., 2003 | Sefidkon, Jalili, et al., 2002 | Oberhofer, Nikiforov, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Pinheiro, de Queiros, et al., 2013
Pinheiro, P.F.; de Queiros, V.T.; Rondelli, V.M.; Costa, A.V.; MArcelino, T. deP.; Pratissoli, D.,
Insecticidal activity of citronells grass essential oil on Frankliniella schultzei and Myzus persicae,
Cienc. Agrotec. Lavras, 2013, 37, 2, 138-144, https://doi.org/10.1590/S1413-70542013000200004
. [all data]
Alizadeh, Khosh-Khui, et al., 2011
Alizadeh, A.; Khosh-Khui, M.; Javidnia, K.; Firuzi, O.; Jokar, S.M.,
Chemical composition of the essential oil, total phenolic content and antioxidant activity in Origanum maiorana L. (Lamiaceae) cultivated in Iran,
Adv. Environ. Biol., 2011, 5, 8, 2326-2331. [all data]
Zhannan, Shiqiong, et al., 2009
Zhannan, Y.; Shiqiong, L.; Quancai, P.; Chao, Z.; Zhengwen, Y.,
GC-MS analysis of the essential oil of Coral Ginger (Zingiber corallinum Hance) rhizome obtained by supercritical fluid extraction and steam distillation extraction,
Chromatographia, 2009, 69, 7/8, 785-790, https://doi.org/10.1365/s10337-009-0971-9
. [all data]
Cheraif, Ben Jannet, et al., 2007
Cheraif, I.; Ben Jannet, H.; Hammami, M.; Khouja, M.L.; Mighri, Z.,
Chemical composition and antimicrobial activity of essential oils of Cupressus arizonica Greene,
Biochem. Syst. Ecol., 2007, 35, 12, 813-820, https://doi.org/10.1016/j.bse.2007.05.009
. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K.,
Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire,
Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542
. [all data]
Farah, Afifi, et al., 2006
Farah, A.; Afifi, A.; Fechtal, M.; Chhen, A.; Satrani, B.; Talbi, M.; Chaouch, A.,
Fractional distillation effect on the chemical composition of Moroccan myrtle (Myrtus communis L.) essential oils,
Flavour Fragr. J., 2006, 21, 2, 351-354, https://doi.org/10.1002/ffj.1651
. [all data]
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A.,
Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction,
Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684
. [all data]
Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J.,
Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain,
Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727
. [all data]
Pintore G., Chessa M., et al., 2006
Pintore G.; Chessa M.; Manconi P.; Zanetti S.; Deriu A.; Tirillini B.,
Chemical composition and antimicrobial activities of essential oil of stachys glutinosa L. from Sardinia,
Natural Product Communications, 2006, 1, 12, 1133-1136. [all data]
Potzernheim, Bizzo, et al., 2006
Potzernheim, M.C.L.; Bizzo, H.R.; Vieira, R.F.,
Analysis of the essential oil of three species of Piper collected in the region of the Distrito Federal (Cerrado - Brazilian Savannah) and comparison with oils of plants from region of Paraty, State of Rio de Janeiro (Atlantic Rain Forest),
Brazilian Journal of Pharmacognosy, 2006, 16, 2, 246-251. [all data]
Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G.,
Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds,
Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584
. [all data]
Aghel, Yamini, et al., 2004
Aghel, N.; Yamini, Y.; Hadjiakhoondi, A.; Pourmortazavi, S.M.,
Supercritical carbon dioxide extraction of Mentha pulegium L. essential oil,
Talanta, 2004, 62, 2, 407-411, https://doi.org/10.1016/j.talanta.2003.08.011
. [all data]
Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Leela, N.K.,
Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India,
Acta Pharm. Hung., 2003, 53, 73-81. [all data]
Sefidkon, Jalili, et al., 2002
Sefidkon, F.; Jalili, A.; Mirhaji, T.,
Essential oil composition of three Artemisia spp. from Iran,
Flavour Fragr. J., 2002, 17, 2, 150-152, https://doi.org/10.1002/ffj.1063
. [all data]
Oberhofer, Nikiforov, et al., 1999
Oberhofer, B.; Nikiforov, A.; Buchbauer, G.; Jirovetz, L.; Bicchi, C.,
Investigation of the alteration of the composition of various essential oils used in aroma lamp applications,
Flavour Fragr. J., 1999, 14, 5, 293-299, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<293::AID-FFJ829>3.0.CO;2-T
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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