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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IR Spectrum
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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | Copyright (C) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | WESTERN REGIONAL RES. USDA |
| Source reference | COBLENTZ NO. 9884 |
| Date | 1965/06/25 |
| Name(s) | 2-isopropenyl-5-methylcyclohexanol |
| State | SOLUTION (10% CCl4 FOR 4000-1330, 10% CS2 FOR 1330-450 CM-1) VS SOLVENT |
| Instrument | CARY 90 (GRATING) |
| Instrument parameters | GRATING CHANGES: 3000, 2000, 1200 CM-1 |
| Path length | 0.01 CM, AND 0.01 CM |
| Resolution | 2 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY |
Gas Chromatography
Go To: Top, IR Spectrum, 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, IR Spectrum, 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, IR Spectrum, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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