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-AEJSXWLSSA-N
- CAS Registry Number: 89-79-2
- 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: Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-(1α,2β,5α)]-; p-Menth-8-en-3-ol, (1R,3R,4S)-(-)-; (-)-Isopulegol; L-isopulegol; 2-Isopropenyl-5-methylcyclohexanol-, (1R-(1alpha,2beta,5alpha))-; p-Menth-8(9)-en-3-ol; (1R,2S,5R)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol
- Information on this page:
- Other data available:
- Options:
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 | Japan AIST/NIMC Database- Spectrum MS-NW-5203 |
| NIST MS number | 227964 |
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 | PB-1 | 130. | 1148. | Engewald, Knobloch, et al., 1991 | Column length: 42. m; Column diameter: 0.32 mm |
| Packed | SE-30 | 100. | 1141. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
| Packed | SE-30 | 120. | 1146. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
| Packed | SE-30 | 140. | 1155. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1156. | Jalali-Heravi, Zekavat, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min |
| Capillary | DB-1 | 1123. | Abella, Cortella, et al., 2000 | 30. m/0.25 mm/0.25 μm, 4. K/min; Tstart: 80. C; Tend: 225. C |
| Capillary | DB-5 | 1146. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | DB-5 | 1149. | Rao, Rout, et al., 2000 | He, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 180. C |
| Capillary | Methyl Silicone | 1144. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | SE-30 | 1123. | Jantan, Ahmad, et al., 1996 | N2, 60. C @ 10. min, 3. K/min, 180. C @ 1. min; Column length: 25. m; Column diameter: 0.2 mm |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1149. | Dwivedi, Khan, et al., 2004 | 25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
| Capillary | BP-1 | 1143. | Rao, Kaul, et al., 2003 | 30. m/0.32 mm/0.25 μm, N2; Program: 60C => 5.5C/min => 220C => 3.5C/min => 245C |
| Capillary | DB-5 | 1146. | Rao, Rout, et al., 2000 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
| Capillary | BP-1 | 1133. | MacLeod, MacLeod, et al., 1988 | Column length: 25. m; Column diameter: 0.2 mm; Program: not specified |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1574. | 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-5 | 1145. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | BP-1 | 1134. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1156. | Agnihotri, Agarwal, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 90. C @ 2. min, 4. K/min; Tend: 220. C |
| Capillary | DB-1 | 1152. | bin Jantan, Yalvema, et al., 2005 | 25. m/0.25 mm/0.25 μm, 60. C @ 10. min, 3. K/min, 180. C @ 10. min |
| Capillary | HP-5MS | 1146. | 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 | RTX-5 | 1147. | Dugo, Mondello, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min |
| Capillary | SBP-5 | 1156. | Yoo, Kim, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 240. C @ 10. min |
| Capillary | DB-5 | 1138. | 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 | MS5 | 1145. | Shao, Marriott, et al., 2003 | 25. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 40. C; Tend: 180. C |
| Capillary | Mega 5MS | 1132. | Verzera, Trozzi, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | Mega 5MS | 1132. | Verzera, la Rosa, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | DB-5 | 1150. | Isidorov, Zenkevich, et al., 1998 | 30. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | Methyl Silicone | 1147. | Píry, Príbela, et al., 1995 | 25. m/0.2 mm/0.3 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. 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 | 1150. | Sacchetti, Maietti, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | SE-52 | 1142. | Lorenzo, Dellacassa, et al., 2000 | 25. m/0.25 mm/0.25 μm, He; Program: 60C(8min) => 3C/min => 180C => 20C/min => 230C |
| Capillary | CP Sil 5 CB | 1145. | Chanegriha, Baaliouamer, et al., 1998 | Program: not specified |
| Capillary | SE-52 | 1147. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 1564. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | BP-20 | 1583. | Gonny, Cavaleiro, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | RTX-Wax | 1549. | Dugo, Mondello, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 240. C @ 10. min |
| Capillary | DB-Wax | 1566. | Brophy, Goldsack, et al., 2000 | 60. m/0.53 mm/1.0 μm, He, 3. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | DB-Wax | 1575. | Brophy, Goldsack, et al., 2000 | 60. m/0.53 mm/1.0 μm, He, 3. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | Carbowax 20M | 1555. | Mondello, Dugo, et al., 1995 | 60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min |
| Capillary | Carbowax 20M | 1575. | Píry, Príbela, et al., 1995 | 50. m/0.2 mm/0.2 μm, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min |
| Capillary | DB-Wax | 1567. | Shiratsuchi, Shimoda, et al., 1993 | 60. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min |
| Capillary | Carbowax 20M | 1578. | Chen and Ho, 1988 | He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1530. | Dugo, Mondello, et al., 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1535. | Lorenzo, Dellacassa, et al., 2000 | Program: not specified |
| Capillary | BP-20 | 1573. | Chanegriha, Baaliouamer, et al., 1998 | He; Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 MS | 1127. | Seo, Kim, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 250. C @ 4. min |
| Capillary | BP-1 | 1130. | 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 | 1148. | 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 | HP-5 | 1148. | 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 |
| Capillary | HP-5 | 1143. | Duarte, Figueira, et al., 2005 | 25. m/0.2 mm/0.33 μm, He, 3. K/min, 240. C @ 7. min; Tstart: 60. C |
| Capillary | Methyl Silicone | 1144. | Ricci, Fraternale, et al., 2005 | 12.5 m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 270. C |
| Capillary | HP-5MS | 1142. | Setzer, Noletto, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | PE-5 | 1165. | Singh, Raina, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 60. C @ 2. min, 5. K/min, 230. C @ 4. min |
| Capillary | RSL-200 | 1145. | Jirovetz, Buchbauer, et al., 2003 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | DB-5 | 1146. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min |
| Capillary | HP-5 | 1146. | Stashenko, Jaramillo, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 15. min, 5. K/min; Tend: 250. C |
| Capillary | DB-5 | 1146. | Farah, Fechtal, et al., 2002 | 30. m/0.25 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-5 | 1146. | Farah, Fechtal. M., et al., 2002 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 5. min, 4. K/min; Tend: 250. C |
| Capillary | BP-5 | 1156. | Doimo, 2001 | 50. m/0.25 mm/1. μm, H2, 6. K/min; Tstart: 60. C; Tend: 270. C |
| Capillary | RSL-200 | 1129. | Jirovetz, Puschmann, et al., 2000 | 60. m/0.32 mm/0.25 μm, H2, 6. K/min; Tstart: 40. C; Tend: 250. C |
| Capillary | OV-101 | 1146. | Menon, Chacko, et al., 1999 | N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C |
| Capillary | OV-1 | 1122. | Oberhofer, Nikiforov, et al., 1999 | 25. m/0.25 mm/0.25 μm, H2, 40. C @ 5. min, 3. K/min, 220. C @ 5. min |
| Capillary | BP-1 | 1147. | Rajeswara, Kaul, et al., 1996 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.50 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | BP-1 | 1148. | Rajeswara, Kaul, et al., 1996 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.50 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-5 | 1152. | Sohounhloue, Dangou, et al., 1996 | 40. C @ 2. min, 2. K/min, 210. C @ 33. min; Column length: 30. m; Column diameter: 0.25 mm |
| Capillary | DB-1 | 1146. | Tirado, Stashenko, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 70. C @ 5. min, 2.5 K/min; Tend: 270. C |
| Capillary | DB-1 | 1146. | Tirado, Stashenko, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 70. C @ 5. min, 2.5 K/min; Tend: 270. C |
| Capillary | OV-101 | 1137. | Sugisawa, Yamamoto, et al., 1989 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1137. | Díaz-Maroto, Castillo, et al., 2007 | 50. m/0.25 mm/0.25 μm; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) |
| Capillary | SPB-1 | 1137. | Díaz-Maroto, Castillo, et al., 2007 | 50. m/0.25 mm/0.25 μm; Program: 70C(3min) => 4C/min => 120C => 8C/min => 250C(5min) |
| Capillary | HP-5 MS | 1146. | Schmidt, Noletto, et al., 2006 | 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 | Methyl Silicone | 1141. | Fu and Wang, 2004 | Program: not specified |
| Capillary | SE-30 | 1145. | Vinogradov, 2004 | Program: not specified |
| Capillary | SE-30 | 1135. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-1 | 1124. | Betts, 2000 | 12. m/0.20 mm/0.33 μm, He; Program: 40 0C 6.7 0C/min -> 87 0C (9 min) 10 0C/min -> 187 0C |
| Capillary | DB-5 | 1146. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1136. | Zenkevich, 1997 | Program: not specified |
| Capillary | 5 % Phenyl methyl siloxane | 1143. | Sagrero-Nieves and Bartley, 1995 | Program: not specified |
| Capillary | OV-101 | 1145. | Shibamoto, 1987 | Program: not specified |
| Packed | OV-101 | 1133. | Swigar and Silverstein, 1981 | N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1533. | Seo, Kim, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 250. C @ 4. min |
| Capillary | BP-20 | 1569. | 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 | 1571. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | DB-Wax | 1571. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | HP-Innowax | 1572. | Stashenko, Jaramillo, et al., 2003 | 50. m/0.2 mm/0.2 μm, 50. C @ 5. min, 4. K/min; Tend: 220. C |
| Capillary | DB-Wax | 1570. | Christoph, 2001 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 45. C; Tend: 240. C |
| Capillary | DB-Wax | 1587. | Jiang and Kubota, 2001 | He, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 220. C |
| Capillary | Carbowax | 1573. | Menon, Chacko, et al., 1999 | N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; Tstart: 80. C |
| Capillary | DB-Wax | 1617. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | BP-20 | 1581. | Bignell, Dunlop, et al., 1997 | 25. m/0.33 mm/0.5 μm, 5. K/min; Tstart: 80. C; Tend: 220. C |
| Capillary | Carbowax 20M | 1565. | Tirado, Stashenko, et al., 1995 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 2. K/min, 150. C @ 20. min |
| Capillary | DB-Wax | 1567. | Shimoda, Shiratsuchi, et al., 1993 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 2. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1573. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1574. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1565. | Tirado, Stashenko, et al., 1995 | 60. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | Carbowax 20M | 1573. | Shibamoto, 1987 | 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.
Engewald, Knobloch, et al., 1991
Engewald, W.; Knobloch, T.; Haufe, G.; Muller, M.; Pohris, V.,
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Ethnobotany, volatile oils and secretion tissues of Werneria poposa from Argentina,
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Composition of essential oil of citronella (Cymbopogon winterianus jowitt) grown in coastal Orissa,
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Dwivedi, S.; Khan, M.; Srivastava, S.K.; Syamasunnder, K.V.; Srivastava, A.,
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Rao, B.R.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S.,
Comparative composition of decanted and recovered essential oils of Eucalyptus citriodora Hook,
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MacLeod, A.J.; MacLeod, G.; Subramanian, G.,
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Notes
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