3-Carene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
- IUPAC Standard InChIKey: BQOFWKZOCNGFEC-DTWKUNHWSA-N
- CAS Registry Number: 13466-78-9
- 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. - Stereoisomers:
- Other names: Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-; delta-3-Carene; 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene; δ 3-carene; 3,7,7-Trimethylbicyclo[4.1.0]-3-heptene; 3-Karen; 3-Norcarene, 3,7,7-trimethyl-; 4,7,7-Trimethyl-3-norcarene; Δ-car-3-ene; 3-δ-Carene; Car-3-ene; Carene
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Van Den Dool and Kratz RI, polar column, temperature ramp
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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | HP-20M | BP-20 | Polyethylene Glycol | BP-20 |
| Column length (m) | 60. | 50. | 50. | 30. | 50. |
| Carrier gas | He | Helium | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.20 | 0.22 | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 60. | 50. | 60. |
| Tend (C) | 230. | 180. | 220. | 230. | 220. |
| Heat rate (K/min) | 2. | 4. | 2. | 2. | 2. |
| Initial hold (min) | 4. | 10. | |||
| Final hold (min) | 30. | 15. | 20. | 15. | 20. |
| I | 1147. | 1136. | 1144. | 1140. | 1147. |
| Reference | Bendahou, Muselli, et al., 2008 | Politeo, Jukic, et al., 2007 | Boti, Bighelli, et al., 2006 | Dob, Dahmane, et al., 2006 | Duquesnoy, Dinh, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Wax | BP-20 | DB-Wax | Supelcowax-10 | CP-Wax 52CB |
| Column length (m) | 30. | 50. | 60. | 30. | 60. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.32 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Tstart (C) | 60. | 60. | 35. | 70. | 35. |
| Tend (C) | 220. | 220. | 220. | 220. | 203. |
| Heat rate (K/min) | 5. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 10. | 4. | |||
| Final hold (min) | 20. | 15. | |||
| I | 1144. | 1147. | 1142. | 1152. | 1141. |
| Reference | Flamini, Tebano, et al., 2006 | Gonny, Cavaleiro, et al., 2006 | Pala-Paul, Copeland, et al., 2006 | Pinto, Pina-Vaz, et al., 2006 | Alasalvar, Taylor, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | DB-Wax | PEG | Supelcowax-10 | DB-Wax |
| Column length (m) | 50. | 60. | 30. | 60. | 30. |
| Carrier gas | He | N2 | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 70. | 50. | 40. | 40. |
| Tend (C) | 220. | 230. | 220. | 280. | 250. |
| Heat rate (K/min) | 2. | 2. | 2. | 4. | 3. |
| Initial hold (min) | 2. | 3. | 2. | ||
| Final hold (min) | 20. | 20. | 15. | 20. | |
| I | 1150. | 1161. | 1140. | 1152. | 1135. |
| Reference | Boti J.B., Koukoua G., et al., 2005 | Choi, 2005 | Dob, Berramdane, et al., 2005 | Elmore, Nisyrios, et al., 2005 | Fanciullino, Gancel, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | PEG-20M | Supelcowax-10 | Megawax | HP-Wax |
| Column length (m) | 30. | 60. | 30. | 30. | |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.2 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 50. | 60. | 40. | 60. |
| Tend (C) | 250. | 250. | 200. | 220. | 220. |
| Heat rate (K/min) | 3. | 4. | 2. | 2. | 5. |
| Initial hold (min) | 6. | 10. | |||
| Final hold (min) | 20. | 10. | 10. | ||
| I | 1140. | 1189. | 1117. | 1128. | 1140. |
| Reference | Gancel, Ollitrault, et al., 2005 | Simionatto, Porto, et al., 2005 | Smadja, Rondeau, et al., 2005 | Verzera, Trozzi, et al., 2005 | Bertoli, Pistelli, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | HP-Wax | HP-Wax | HP-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 60. | 60. | 60. | 40. |
| Tend (C) | 240. | 240. | 240. | 240. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 6. | 5. | |||
| Final hold (min) | 10. | 20. | |||
| I | 1133. | 1136. | 1150. | 1150. | 1144. |
| Reference | Dugo, Mondello, et al., 2004 | Flamini, Bader, et al., 2004 | Flamini, Cioni, et al., 2004 | Flamini, Cioni, et al., 2004 | Yu, Kim, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | DB-Wax | RTX-Wax | DB-Wax | Megawax |
| Column length (m) | 25. | 30. | 60. | 60. | 30. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.3 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 40. | 60. | 40. | 40. |
| Tend (C) | 200. | 250. | 230. | 245. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 1.5 | 2. |
| Initial hold (min) | 1. | 6. | |||
| Final hold (min) | 20. | 20. | 45. | 20. | 10. |
| I | 1127. | 1130. | 1148. | 1140. | 1128. |
| Reference | Bicchi, Rubiolo, et al., 2003 | Brat, Rega, et al., 2003 | Cavalli, Tomi, et al., 2003 | Gancel, Ollitrault, et al., 2003 | Verzera, Trozzi, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | BP-20 | BP-20 | AT-Wax | BP-20 |
| Column length (m) | 50. | 50. | 50. | 60. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 65. | 60. |
| Tend (C) | 220. | 220. | 220. | 250. | 220. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 20. | 20. | 60. | 20. | |
| I | 1145. | 1144. | 1145. | 1138. | 1147. |
| Reference | Lota, de Rocca Serra, et al., 2002 | Pintore, Usai, et al., 2002 | Lota, Serra, et al., 2001 | Pino, Marbot, et al., 2001 | Rezzi, Bighelli, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | DB-Wax | BP-20 | BP-20 | Megawax |
| Column length (m) | 50. | 60. | 50. | 50. | 30. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 70. | 60. | 60. | 40. |
| Tend (C) | 220. | 230. | 230. | 230. | 220. |
| Heat rate (K/min) | 4. | 2. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 2. | 6. | ||
| Final hold (min) | 30. | 20. | 35. | 35. | 10. |
| I | 1150. | 1164. | 1145. | 1145. | 1128. |
| Reference | Chevance, Farmer, et al., 2000 | Choi and Sawamura, 2000 | Lota, de Rocca Serra, et al., 2000 | Lota, de Rocca Serra, et al., 2000 | Verzera, Trozzi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB | HP-Innowax | BP-20 |
| Column length (m) | 50. | 50. | 50. | 60. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 60. | 60. | 40. | 32. | 60. |
| Tend (C) | 220. | 220. | 220. | 220. | 230. |
| Heat rate (K/min) | 4. | 4. | 4. | 2. | 2. |
| Initial hold (min) | 5. | 5. | 5. | 1. | |
| Final hold (min) | 30. | 30. | 30. | 40. | 35. |
| I | 1135. | 1136. | 1130. | 1149. | 1145. |
| Reference | Chevance and Farmer, 1999 | Chevance and Farmer, 1999, 2 | Chevance and Farmer, 1999, 2 | Christensen, Jakobsen, et al., 1999 | Lota, Serra, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax | Carbowax 20M | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 60. | 25. | 30. | 25. | 60. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.3 | 0.5 | 0.25 | 0.425 |
| Tstart (C) | 50. | 50. | 40. | 50. | 45. |
| Tend (C) | 180. | 200. | 245. | 240. | 300. |
| Heat rate (K/min) | 2.5 | 3. | 3. | 4. | 3. |
| Initial hold (min) | 5. | 1. | 3. | 3. | 3. |
| Final hold (min) | 20. | 20. | 20. | ||
| I | 1171. | 1150. | 1134. | 1118. | 1146. |
| Reference | Stashenko, Cervantes, et al., 1999 | Bicchi, Rubiolo, et al., 1998 | Ollé, Baumes, et al., 1998 | Möllenbeck, König, et al., 1997 | Mondello, Dugo, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | HP-20M | HP-FFAP | DB-Wax | DB-Wax |
| Column length (m) | 50. | 50. | 50. | 60. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | ||
| Tstart (C) | 30. | 60. | 60. | 50. | 40. |
| Tend (C) | 170. | 190. | 210. | 230. | 220. |
| Heat rate (K/min) | 4. | 3. | 3. | 2. | 5. |
| Initial hold (min) | 2. | 4. | 3. | ||
| Final hold (min) | 20. | 30. | |||
| I | 1169. | 1148. | 1180. | 1146. | 1146. |
| Reference | Píry, Príbela, et al., 1995 | Chung, Eiserich, et al., 1993 | Chung, Eiserich, et al., 1993 | Shiratsuchi, Shimoda, et al., 1993 | Frohlich and Schreier, 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 50. | 50. | 50. |
| Tend (C) | 220. | 250. | 250. | 225. |
| Heat rate (K/min) | 3. | 4. | 4. | 1.5 |
| Initial hold (min) | 3. | 3. | ||
| Final hold (min) | 80. | |||
| I | 1149. | 1146. | 1148. | 1134. |
| Reference | Le Quere and Latrasse, 1990 | Fröhlich, Duque, et al., 1989 | Fröhlich, Duque, et al., 1989 | Chen and Ho, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bendahou, Muselli, et al., 2008
Bendahou, M.; Muselli, A.; Grignon-Dubois, M.; Benyoucef, M.; Desjobert, J.-M.; Bernardini, A.-F.; Costa, J.,
Antimicrobial activity and chemical composition of Origanum glandulosum Desf. essential oil and extract obtained by microwave extraction: Comparison with hydrodistillation,
Food Chem., 2008, 106, 1, 132-139, https://doi.org/10.1016/j.foodchem.2007.05.050
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Politeo, Jukic, et al., 2007
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Chemical Composition and Antioxidant Activity of Free Volatile Aglycones from Laurel (Laurus nobilis L.) Compared to Its Essential Oil,
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Boti, Bighelli, et al., 2006
Boti, J.B.; Bighelli, A.; Cavaleiro, C.; Salgueiro, L.; Casanova, J.,
Chemical variability of Juniperus oxycedrus ssp. oxycedrus berry and leaf oils from Corsica, analysed by combination of GC, GC-MS and 13C-NMR,
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Dob, Dahmane, et al., 2006
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Essential oil composition of Lavandula stoechas from Algeria,
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Flamini, Cioni, et al., 2004
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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