7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-8(2)10-6-4-9(3,11-10)5-7-10/h8H,4-7H2,1-3H3
- IUPAC Standard InChIKey: RFFOTVCVTJUTAD-UHFFFAOYSA-N
- CAS Registry Number: 470-67-7
- 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. - Other names: p-Menthane, 1,4-epoxy; Isocineole; 1,4-Cineol; 1,4-Cineole; 1,4-Epoxy-p-menthane; 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl-; 1-methyl-4-(1-methylethyl)-7-oxabicyclo[2.2.1]heptane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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: William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.0 | 303. | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 449. K. |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 249419 |
Gas Chromatography
Go To: Top, Phase change data, 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 | SE-30 | 100. | 1018.9 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1016. | Viña and Murillo, 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1188. | Viña and Murillo, 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1016. | 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 | SPB-1 | 1001. | Chisholm, Wilson, et al., 2003 | 25. m/0.25 mm/0.25 μm, 35. C @ 10. min, 4. K/min; Tend: 225. C |
| Capillary | SPB-5 | 1016. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | CP Sil 5 CB | 1010. | Pino, Marbot, et al., 2002 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
| Capillary | RTX-5 | 1016. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | RTX-5 | 1023. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | SPB-1 | 1001. | Chisholm, Wilson, et al., 2001 | 15. m/0.25 mm/0.25 μm, 35. C @ 3. min, 6. K/min, 225. C @ 10. min |
| Capillary | CP Sil 5 CB | 1006. | Pfeifhofer, 2000 | 50. m/0.22 mm/0.13 μm, H2, 4. K/min, 300. C @ 10. min; Tstart: 40. C |
| Capillary | Methyl Silicone | 1014. | Sumathykutty, Rao, et al., 1999 | 50. m/0.25 mm/0.17 μm, N2, 2. K/min; Tstart: 80. C; Tend: 200. C |
| Capillary | SPB-1 | 998. | Chen, Huang, et al., 1998 | 60. m/0.32 mm/0.25 μm, N2, 4. K/min, 200. C @ 20. min; Tstart: 40. C |
| Capillary | Methyl Silicone | 1011. | Píry, Príbela, et al., 1995 | 25. m/0.2 mm/0.3 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
| Capillary | DB-1 | 1011. | Combariza, Tirado, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 70. C @ 5. min, 2.5 K/min, 250. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1033. | Elmore, Erbahadir, et al., 1997 | 50. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C |
| Capillary | SE-52 | 1014. | 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 | DB-Wax | 1169. | Varming, Andersen, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 6. K/min, 240. C @ 25. min |
| Capillary | Supelcowax-10 | 1199. | Riu-Aumatell, Lopez-Tamames, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min, 240. C @ 10. min |
| Capillary | Carbowax 20M | 1198. | Verzera, Campisi, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1171. | Varming, Petersen, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 6. K/min, 240. C @ 25. min |
| Capillary | Supelcowax | 1186. | Chisholm, Wilson, et al., 2003 | 25. m/0.25 mm/0.25 μm, 35. C @ 5. min, 4. K/min, 225. C @ 10. min |
| Capillary | AT-Wax | 1164. | Pino, Marbot, et al., 2002 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
| Capillary | CP-Wax 52CB | 1198. | Verzera, Campisi, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
| Capillary | Carbowax 20M | 1175. | 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 | 1192. | 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 | 1177. | Combariza, Tirado, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 2. K/min, 150. C @ 20. min |
| Capillary | Carbowax 20M | 1188. | Chen, Kuo, et al., 1986 | He, 50. C @ 5. min, 2. K/min, 200. C @ 40. min; Column length: 50. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1176. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
| Capillary | Supelcowax-10 | 1179. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min) |
| Capillary | Supelcowax-10 | 1180. | da Porto, Pizzale, et al., 2003 | 30. m/0.32 mm/0.3 μm; Program: 60C(8min) => 8C/min => 170C => 13C/min => 240C(20min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 1006. | Mothana, Hasson, et al., 2011 | 30. m/0.25 mm/0.26 μm, Nitrogen, 3. K/min, 280. C @ 22. min; Tstart: 45. C |
| Capillary | DB-5 | 1016. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 45. C @ 3. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-1 | 1010. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
| Capillary | ZB-5 | 1014. | Mohottalage, Tabacchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 4. K/min, 220. C @ 20. min |
| Capillary | DB-1 | 1016. | Khajeh, Yamini, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 250. C |
| Capillary | DB-5 | 1014. | Tellez, Khan, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SE-30 | 1017. | Iñigo, Palá-Paúl, et al., 2002 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 240. C |
| Capillary | HP-5 | 1018. | Gallori, Flamini, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | RSL-200 | 1009. | Jirovetz, Puschmann, et al., 2000 | 60. m/0.32 mm/0.25 μm, H2, 6. K/min; Tstart: 40. C; Tend: 250. C |
| Capillary | DB-1 | 1006. | Sagrero-Nieves and Bartley, 1996 | 60. m/0.32 mm/0.50 μm, He, 50. C @ 1. min, 8. K/min, 250. C @ 6. min |
| Capillary | DB-1 | 1008. | Stashenko, Puertas, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 250. C |
| Capillary | DB-1 | 1009. | 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 | 1009. | 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 | 1010. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | OV-101 | 1010. | Yang and Sugisawa, 1990 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
| Capillary | BP-1 | 1006. | Brophy, Davies, et al., 1989 | H2, 40. C @ 1. min, 10. K/min; Column length: 50. m; Column diameter: 0.30 mm; Tend: 250. C |
| Capillary | SE-30+Igepal | 1018. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
| Capillary | SE-30+Igepal | 1023. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1018. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 | 1023. | Porto, Decorti, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 | 1008. | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Program: not specified |
| Capillary | SE-30 | 1010. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-5 | 1016. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1012. | Zenkevich, 1997 | Program: not specified |
| Capillary | DB-5 | 1014. | Storer, Elmore, et al., 1993 | 30. m/0.32 mm/1. μm; Program: 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
| Capillary | OV-101 | 1010. | Shibamoto, 1987 | Program: not specified |
| Packed | OV-101 | 1000. | 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 | DB-Wax | 1195. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
| Capillary | HP-Innowax | 1178. | Soria, Sanz, et al., 2008 | 50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min |
| Capillary | TC-FFAP | 1188. | Kurose, Okamura, et al., 2007 | He, 3. K/min, 220. C @ 30. min; Column diameter: 0.25 mm; Phase thickness: 0.25 μm; Tstart: 60. C |
| Capillary | DB-Wax | 1185. | Sagrero-Nieves and Bartley, 1996 | 60. m/0.32 mm/0.50 μm, He, 50. C @ 1. min, 8. K/min, 250. C @ 6. min |
| Capillary | DB-Wax | 1199. | Stashenko, Puertas, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; Tend: 180. C |
| Capillary | Carbowax 20M | 1177. | 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 | Carbowax 20M | 1212. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
| Capillary | Carbowax 20M | 1213. | Shibamoto and Jennings, 1977 | 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1185. | Editorial paper, 2005 | Program: not specified |
| Capillary | Carbowax 20M | 1198. | Editorial paper, 2005 | Program: not specified |
| Capillary | Carbowax 20M | 1185. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1177. | Tirado, Stashenko, et al., 1995 | 60. m/0.25 mm/0.25 μm, He; Program: not specified |
| Capillary | Carbowax 20M | 1185. | Shibamoto, 1987 | Program: not specified |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 165.32 | Eckel, Ross, et al., 1993 | Program: not specified |
References
Go To: Top, Phase change data, 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.
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
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Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
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Viña and Murillo, 2003
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Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
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Volatile components from mango (Mangifera indica L.) cultivars,
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Essential oil constituents of some Piper species,
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Notes
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