Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1α,2α,5α)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: MQPHVIPKLRXGDJ-UHFFFAOYSA-N
- CAS Registry Number: 547-60-4
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: trans-3-Pinanone; (E)-Pinocamphone; trans-Pinocamphone; Pinocamphone, trans; Pinocamphone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one, (1α,2α,5α)-; (1R,2S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one-rel-; 30517-87-4; 3-Pinanone; 2,6,6-Trimethylbicyclo[3.1.1]heptan-3-one; trans-pinocamphone (pinocamphone); (1α,2α,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- Information on this page:
- Other data available:
- Options:
Gas Chromatography
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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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1163. | Adams, Morris, et al., 2005 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | HP-5MS | 1159. | Salido, Altarejos, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1160. | Adams, 2000 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1160. | Adams, 2000, 2 | 30. m/0.26 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 246. C |
| Capillary | PTE-5 | 1160. | Mitic and Dordevic, 2000 | 60. m/0.32 mm/0.3 μm, H2, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | DB-5 | 1164. | Tzakou, Harvala, et al., 2000 | 50. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tend: 250. C |
| Capillary | OV-101 | 1157. | Menut, Molangui, et al., 1995 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1160. | Adams, 1998 | 30. m/0.26 mm/0.25 μm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1160. | Flamini, Cioni, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1156. | Batista-Pereira, Fernandes, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | BP-1 | 1135. | Boti, Bighelli, 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 | 1152. | Dob, Dahmane, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 5. min |
| Capillary | BP-1 | 1140. | 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 | HP-5MS | 1158. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1160. | Cioni, Flamini, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | RTX-1 | 1141. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-1 | 1136. | Dob, Berramdane, et al., 2005 | 30. m/0.32 mm/0.25 μm, N2, 50. C @ 3. min, 2. K/min, 260. C @ 5. min |
| Capillary | SE-54 | 1156. | Alma, Nitz, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 2. K/min; Tend: 260. C |
| Capillary | HP-5MS | 1163. | Mumm, Tiemann, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
| Capillary | HP-5MS | 1169. | Weissbecker, Holighaus, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1.5 min, 6. K/min, 200. C @ 5. min |
| Capillary | HP-5 | 1162. | Macchioni, Cioni, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5MS | 1159. | Salido, Altarejos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1143. | Muselli, Hoi, et al., 1999 | 30. m/0.25 mm/0.25 μm, 50. C @ 3. min, 3. K/min; Tend: 220. C |
| Capillary | DB-5 | 1159. | Guichard and Souty, 1988 | H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; Tend: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1166.4 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1482. | Maksimovic, Vidic, et al., 2007 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
| Capillary | BP-20 | 1507. | Boti, Bighelli, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-20 | 1515. | 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-Wax | 1576. | Pala-Paul, Copeland, et al., 2006 | 60. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 35. C; Tend: 220. C |
| Capillary | RTX-Wax | 1507. | Cozzani, Muselli, et al., 2005 | 60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-Wax | 1578. | Brophy, Goldsack, et al., 1998 | He, 3. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1156. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 | 1156. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | HP-5 | 1156. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen, 4. K/min, 280. C @ 10. min; Tstart: 40. C |
| Capillary | DB-5 | 1163. | Ho, Wang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | SPB-1 | 1134. | Neves, Rosa, et al., 2010 | 30. m/0.20 mm/0.20 μm, Helium, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | SE-54 | 1156. | Dayisoylu and Alma, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 5. min, 2. K/min, 260. C @ 999. min |
| Capillary | HP-5 MS | 1177. | 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 | HP-5 MS | 1160. | 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-5 | 1161. | El-Ghorab A., El-Massry K.F., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 40. min; Tstart: 35. C |
| Capillary | SPB-1 | 1134. | Pinto, Salgueiro, et al., 2007 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | DB-1 | 1142. | Salehi, Fakhari, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | AT-5 | 1174. | Borges, Rojas, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 4. K/min, 200. C @ 20. min; Tstart: 60. C |
| Capillary | DB-1 | 1158. | Hadian, Sonboli, et al., 2006 | 60. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | CP Sil 5 CB | 1163. | Hymete, Rohloff, et al., 2006 | 30. m/0.25 mm/0.25 μm, 3. K/min, 220. C @ 3. min; Tstart: 40. C |
| Capillary | HP-1 | 1144. | Fernandez, Lizzani-Cuvelier, et al., 2005 | 50. m/0.2 mm/0.25 μm, 60. C @ 60. min, 2. K/min; Tend: 250. C |
| Capillary | HP-5MS | 1176. | Melkani, Dev, et al., 2005 | 30. m/0.25 mm/0.25 μm, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | DB-1 | 1135. | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | 50. m/0.25 mm/0.25 μm, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1159. | Kalvandi, Sefidkon, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1144. | Pitarokili, Tzakou, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | DB-1 | 1135. | Velasco-Negueruela, Pérez-Alonso, et al., 2002 | 50. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1161. | Tellez, Canel, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | RSL-150 | 1138. | Ronse and De Pooter, 1990 | 30. m/0.32 mm/0.20 μm, 3. K/min; Tstart: 30. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1116. | Albano, Lima, et al., 2012 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1160. | da Silva, de Souza, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 4 0C/min -> 200 0C (5 min) 20 0C/min -> 280 0C |
| Capillary | HP-5 | 1163. | Velickovic, Ristic, et al., 2012 | 25. m/0.32 mm/0.52 μm, Hydrogen; Program: not specified |
| Capillary | DB-5 MS | 1160. | Haznagy-Radnai, Szigle, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C |
| Capillary | BPX-5 | 1160. | Ozer H., Sokmen M., et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C(10min) => 10C/min => 250C |
| Capillary | BPX-5 | 1160. | Baris, Güllüce, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C(10min) => 10C/min => 250C |
| Capillary | BPX-5 | 1159. | Ozer H., Kilic H., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C (10min) => 10C/min => 250C |
| Capillary | BPX-5 | 1171. | Ozer H., Kilic H., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C (10min) => 10C/min => 250C |
| Capillary | SE-52 | 1163. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | BPX-5 | 1161. | Özer, Sahín, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C(10min) => 10C/min => 250C |
| Capillary | DB-5 | 1170. | Hamm, Bleton, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 9C/min => 130C => 2C/min => 230C |
| Capillary | HP-5MS | 1163. | Sahin, Gulluce, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 150C(10min) => 10C/min => 250C |
| Capillary | HP-5 | 1163. | Tepe, Donmez, et al., 2004 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (3min) => 3C/min => 150C (10min) => 10C/min => 250C |
| Capillary | SE-30 | 1154. | Vinogradov, 2004 | Program: not specified |
| Capillary | CP Sil 8 CB | 1160. | Mockute, Nivinskiene, et al., 2003 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 10C/min => 250C(5min) |
| Capillary | DB-5 | 1161.5 | Veres, Varga, et al., 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 60C => 3C/min => 210C => 5C/min => 250C(2min) |
| Capillary | DB-1 | 1134. | Baratta, Dorman, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 240C (10min) |
| Capillary | CP Sil 5 CB | 1140. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
| Capillary | DB-5 | 1173. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
| Capillary | DB-5 | 1160. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1154. | Zenkevich, 1997 | Program: not specified |
| Packed | OV-101 | 1152. | 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 | Supelcowax-10 | 1511. | Neves, Rosa, et al., 2010 | 30. m/0.20 mm/0.20 μm, Helium, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | TC-FFAP | 1523. | 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 | TC-FFAP | 1525. | 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 | Supelcowax-10 | 1516. | Pinto, Salgueiro, et al., 2007 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
| Capillary | CP-Wax 52CB | 1578. | Hymete, Rohloff, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 7. min, 3.3 K/min, 220. C @ 3. min |
| Capillary | Carbowax 20M | 1504. | Fernandez, Lizzani-Cuvelier, et al., 2005 | 50. m/0.2 mm/0.25 μm, 60. C @ 60. min, 2. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1548. | Buttery, Light, et al., 2000 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min, 170. C @ 30. min |
| Capillary | Carbowax 20M | 1529. | Kollmannsberger, Nitz, et al., 1992 | 45. m/0.32 mm/1.0 μm, Hydrogen, 60. C @ 5. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 1535. | Sezik E., Kocakulak E., et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 1536. | Baser, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 1535. | Tunalier, Kirimer, et al., 2002 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | FFAP | 1534. | Reddy, Angers, et al., 1998 | 25. m/0.2 mm/0.33 μm, H2; Program: 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
| Capillary | DB-Wax | 1536. | Weyerstahl, Marschall, et al., 1998 | N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified |
| Capillary | NB-351 | 1506. | Kerrola, Galambosi, et al., 1994 | 25. m/0.32 mm/0.2 μm; Program: 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
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.
Adams, Morris, et al., 2005
Adams, R.P.; Morris, J.A.; Pandey, R.N.; Schwarzbach, A.E.,
Cryptic speciation between Juniperus deltoides and Juniperus oxycedrus (Cupressaceae) in the Mediterranean,
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Salido, Altarejos, et al., 2002
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Chemical studies of essential oils of Juniperus oxycedrus ssp. badia,
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Adams, 2000
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
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Adams, 2000, 2
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The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
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Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
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The essential oils and chemotaxonomy of Juniperus sect. Juniperus,
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Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C.,
Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species,
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Notes
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