Neo-isopulegol
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10+/m0/s1
- IUPAC Standard InChIKey: ZYTMANIQRDEHIO-IVZWLZJFSA-N
- CAS Registry Number: 96612-21-4
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1142. | Castilho, Liu, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1144. | Hongratanaworakit and Buchbauer, 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1144. | 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 | 1150. | Agnihotri, Agarwal, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 4. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1568. | Castilho, Liu, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 MS | 1153. | Pinheiro, de Queiros, et al., 2013 | Helium, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 MS | 1146. | Adams, Beauchamp, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 3. K/min, 230. C @ 10. min |
| Capillary | DB-1 | 1134. | Salehi, Fakhari, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | BP-1 | 1143. | Boti, Yao, et al., 2006 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-1 | 1130. | 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 | SE-52 | 1156. | Ozcan, Chalchat, et al., 2006 | Helium, 3. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C |
| Capillary | HP-5 | 1147. | Pintore G., Chessa M., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-5 MS | 1145. | Pinheiro, de Queiros, et al., 2013 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | SPB-1 | 1132. | Díaz-Maroto, Castillo, et al., 2007 | 50. m/0.25 mm/0.25 μm; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1562. | Boti, Yao, et al., 2006 | 50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 1574. | 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 |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Castilho, Liu, et al., 2007
Castilho, P.; Liu, K.; Rodrigues, A.I.; Feio, S.; Tomi, F.; Casanova, J.,
Composition and antimicrobial activity of the essential oil of Clinopodium ascendens (Jordan) Sampaio from Madeira,
Flavour Fragr. J., 2007, 22, 2, 139-144, https://doi.org/10.1002/ffj.1771
. [all data]
Hongratanaworakit and Buchbauer, 2007
Hongratanaworakit, T.; Buchbauer, G.,
Chemical composition and stimulating effect of Citrus hystrix oil on humans,
Flavour Fragr. J., 2007, 22, 5, 443-449, https://doi.org/10.1002/ffj.1820
. [all data]
Silva, Barbosa, et al., 2007
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,
Flavour Fragr. J., 2007, 22, 6, 474-478, https://doi.org/10.1002/ffj.1823
. [all data]
Agnihotri, Agarwal, et al., 2005
Agnihotri, V.K.; Agarwal, S.G.; Dhar, P.L.; Thappa, R.K.; Baleshwar; Kapahi, B.K.; Saxena, R.K.; Qazi, G.N.,
Essential oil composition of Mentha pulegium L. growing wild in the north-western Himalayas India,
Flavour Fragr. J., 2005, 20, 6, 607-610, https://doi.org/10.1002/ffj.1497
. [all data]
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]
Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M.,
New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247
. [all data]
Salehi, Fakhari, et al., 2007
Salehi, P.; Fakhari, A.R.; Ebrahimi, S.N.; Heydari, R.,
Rapid essential oil screening of Rosmarinus officinalis L. by hydrodistillation-headspace solvent microextraction,
Flavour Fragr. J., 2007, 22, 4, 280-285, https://doi.org/10.1002/ffj.1793
. [all data]
Boti, Yao, et al., 2006
Boti, J.B.; Yao, P.A.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Components and chemical variability of Isolona campanulata Engler Diels leaf oil,
Flavour Fragr. J., 2006, 21, 1, 166-170, https://doi.org/10.1002/ffj.1555
. [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,
Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705
. [all data]
Ozcan, Chalchat, et al., 2006
Ozcan, M.M.; Chalchat, J.-C.; Arslan, D.; Ates, A.; Unver, A.,
Comparative Essential Oil Composition and Antifungal Effect of Bitter Fennel (Foeniculum vulgare ssp. piperitum) Fruit Oils Obtained During Different Vegetation,
J. Medicinal Food, 2006, 9, 4, 552-561, https://doi.org/10.1089/jmf.2006.9.552
. [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]
Díaz-Maroto, Castillo, et al., 2007
Díaz-Maroto, M.C.; Castillo, N.; Castro-Vázquez, L.; González-Viñas, M.A.; Pérez-Coello, M.S.,
Volatile composition and olfactory profile of pennyroyal (Mentha pulegium L.) plants,
Flavour Fragr. J., 2007, 22, 2, 114-118, https://doi.org/10.1002/ffj.1766
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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