3-Carene
- Formula: C10H16
- Molecular weight: 136.2340
- 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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Kovats' RI, non-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 | DB-5 | DB-5MS | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.25 | 0.25 | 0.25 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 40. | 60. |
Tend (C) | 246. | 180. | 210. | 246. | |
Heat rate (K/min) | 3. | 3. | 3. | 2. | 3. |
Initial hold (min) | 2. | ||||
Final hold (min) | 15. | 33. | |||
I | 1011. | 1009. | 1013. | 1007. | 1011. |
Reference | Adams, González Elizondo, et al., 2006 | Angioni, Barra, et al., 2006 | Lucero, Fredrickson, et al., 2006 | Sylvestre, Pichette, et al., 2006 | Adams, Morris, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5MS | DB-5MS | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 246. | 240. | 180. | 260. | 180. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 5. |
Initial hold (min) | 15. | 6. | |||
Final hold (min) | 15. | ||||
I | 1011. | 1010. | 1031. | 1012. | 1009. |
Reference | Adams and Nguyen, 2005 | Maia, Andrade, et al., 2005 | Angioni, Barra, et al., 2004 | Lopes, Strobl, et al., 2004 | Merle, Morón, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | HP-5MS | DB-1 | DB-5 | HP-5MS |
Column length (m) | 25. | 30. | 50. | 50. | 30. |
Carrier gas | H2 | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.15 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 70. | 95. | 50. | 50. |
Tend (C) | 230. | 250. | 240. | 280. | 280. |
Heat rate (K/min) | 3. | 3. | 4. | 5. | 4. |
Initial hold (min) | 5. | 2. | 2. | ||
Final hold (min) | 10. | 10. | |||
I | 1001. | 1005. | 1028. | 1007. | 1007. |
Reference | Ogunwande, Olawore, et al., 2004 | Siani, Garrido, et al., 2004 | Velasco-Negueruela, Sanz, et al., 2004 | Baranauskiene, Venskutonis, et al., 2003 | Baranauskiene, Venskutonis, et al., 2003, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | CP Sil 5 CB | BP-1 | DB-5 | HP-5 |
Column length (m) | 30. | 25. | 25. | 60. | 30. |
Carrier gas | He | H2 | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.55 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.15 | 0.25 | 1. | 0.25 |
Tstart (C) | 40. | 50. | 60. | 40. | 60. |
Tend (C) | 250. | 230. | 220. | 230. | 240. |
Heat rate (K/min) | 5. | 3. | 5. | 3. | 3. |
Initial hold (min) | 1. | 5. | |||
Final hold (min) | 15. | 2. | 20. | ||
I | 1018. | 1011. | 1015. | 1020. | 1011. |
Reference | Bouzouita, Kachouri, et al., 2003 | Ogunwande, Olawore, et al., 2003 | Srivastava, Ahmad, et al., 2003 | Buchin, Salmon, et al., 2002 | Mita, Tsitsimpikou, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | BP-1 | BP-1 | HP-5MS | HP-5 |
Column length (m) | 25. | 60. | 25. | 30. | 50. |
Carrier gas | He | N2 | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.32 | 0.55 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 60. | 60. | 50. | 50. |
Tend (C) | 220. | 220. | 220. | 250. | 250. |
Heat rate (K/min) | 4. | 5. | 5. | 3. | 2.5 |
Initial hold (min) | 5. | ||||
Final hold (min) | 15. | ||||
I | 1003. | 1007. | 1005. | 1010. | 1008. |
Reference | Palá-Paúl, Velasco-Negueruela, et al., 2002 | Raina, Lal, et al., 2002 | Raina, Srivastava, et al., 2002 | Salido, Altarejos, et al., 2002 | Yáñez, Pinzón, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | BP-1 | DB-1 | SE-54 |
Column length (m) | 30. | 28. | 25. | 30. | 30. |
Carrier gas | H2 | He | N2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.55 | 0.25 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 50. | 60. | 40. | 60. |
Tend (C) | 240. | 270. | 220. | 260. | 246. |
Heat rate (K/min) | 3. | 4.5 | 5. | 2. | 3. |
Initial hold (min) | 1. | 5. | |||
Final hold (min) | 15. | 20. | |||
I | 1005. | 1000. | 1007. | 1000. | 1011. |
Reference | Moreira, Sousa, et al., 2001 | Nagalakshmi, Thangadurai, et al., 2001 | Raina, Srivastava, et al., 2001 | Senatore and Rigano, 2001 | Adams, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | DB-5 | SE-30 | HP-5MS |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 70. | 60. |
Tend (C) | 240. | 246. | 246. | 220. | 280. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 3. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1011. | 1011. | 1011. | 1004. | 1011. |
Reference | Adams, 2000, 2 | Adams, 2000, 3 | Adams, 2000, 4 | Kardali, Velasco-Negueruela, et al., 2000 | Roussis, Tsoukatou, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-30 | CP Sil 5 CB | DB-5 | DB-5 |
Column length (m) | 30. | 25. | 25. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.2 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | ||
Tstart (C) | 60. | 60. | 60. | 40. | 60. |
Tend (C) | 246. | 180. | 280. | 260. | 240. |
Heat rate (K/min) | 3. | 3. | 5. | 2. | 3. |
Initial hold (min) | 10. | 5. | |||
Final hold (min) | 20. | ||||
I | 1011. | 1003. | 999. | 1004. | 1011. |
Reference | Adams, 1999 | Jantan I. and Ahmad A.S., 1999 | Kaul, Gujral, et al., 1999 | Senatore and de Feo, 1999 | da Silva, Andrade, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | DB-5 | SE-30 | SE-30 | SE-54 |
Column length (m) | 50. | 30. | 25. | 25. | 30. |
Carrier gas | N2 | He | N2 | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.2 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 60. | 60. | 60. | 60. | 0. |
Tend (C) | 185. | 240. | 180. | 180. | 250. |
Heat rate (K/min) | 2. | 3. | 3. | 3. | 12. |
Initial hold (min) | 10. | 10. | 10. | 12. | |
Final hold (min) | 1. | 1. | |||
I | 1010. | 1011. | 1003. | 1003. | 1004. |
Reference | Fournier, Hadjiakhoondi, et al., 1997 | Tellez, Estell, et al., 1997 | Jantan, Ahmad, et al., 1996 | Jantan, Ali, et al., 1995 | Rembold, Wallner, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | BP-1 | BP-1 | DB-1 | DB-1 |
Column length (m) | 50. | 50. | 60. | 60. |
Carrier gas | He | H2 | He | He |
Substrate | ||||
Column diameter (mm) | 0.33 | 0.25 | 0.25 | |
Phase thickness (μm) | 1. | 1. | ||
Tstart (C) | -100. | 65. | 40. | 40. |
Tend (C) | 200. | 220. | 250. | 250. |
Heat rate (K/min) | 2. | 5. | 12. | 4. |
Initial hold (min) | 2. | 4. | ||
Final hold (min) | ||||
I | 1005. | 1011. | 1035. | 1025. |
Reference | Bartley, 1988 | Ekundayo, Laakso, et al., 1988 | Burns and Tingey, 1983 | Burns and Tingey, 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-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.
Adams, González Elizondo, et al., 2006
Adams, R.P.; González Elizondo, M.S.; González Elizondo, M.; Slinkman, E.,
DNA fingerprinting and terpenoid analysis of Juniperus blancoi var. huehuentensis (Cupressaceae), a new subalpine variety from Durango, Mexico,
Biochem. Syst. Ecol., 2006, 34, 3, 205-211, https://doi.org/10.1016/j.bse.2005.11.004
. [all data]
Angioni, Barra, et al., 2006
Angioni, A.; Barra, A.; Coroneo, V.; Dessi, S.; Cabras, P.,
Chemical composition, seasonal variability, and antifungal activity of Lavandula stoechas L. ssp. stoechas essential oils from stem/leaves and flowers,
J. Agric. Food Chem., 2006, 54, 12, 4364-4370, https://doi.org/10.1021/jf0603329
. [all data]
Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B.,
Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction,
J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039
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Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
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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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Adams and Nguyen, 2005
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Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS),
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Maia, Andrade, et al., 2005
Maia, J.G.S.; Andrade, E.H.A.; da Silva, A.C.M.; Oliveira, J.; Carreira, L.M.M.; Araújo, J.S.,
Leaf volatile oils from four Brazilian Xylopia species,
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Angioni, Barra, et al., 2004
Angioni, A.; Barra, A.; Cereti, E.; Barile, D.; Coïsson, J.D.; Arlorio, M.; Dessi, S.; Coroneo, V.; Cabras, P.,
Chemical composition, plant genetic differences, antimicrobial and antifungal activity investigation of the essential oil of Rosmarinus officinalis L.,
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Lopes, Strobl, et al., 2004
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14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
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Merle, Morón, et al., 2004
Merle, H.; Morón, M.; Blázquez, A.; Boira, H.,
Taxonomical contribution of essential oils in mandarins cultivars,
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Rare terpenoid esters from Hyparrhenia rufa (Nees) Stapf. growing wild in Nigeria,
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Velasco-Negueruela, Sanz, et al., 2004
Velasco-Negueruela, A.; Sanz, J.; Pérez-Alonso, M.J.; Palá-Paúl, J.,
The volatile components of the aerial parts of Melittis melissophyllum L. subsp. melissophyllum gathered in Spain,
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Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
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Baranauskiene, Venskutonis, et al., 2003, 2
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Influence of nitrogen fertilizers on the yield and composition of thyme (Thymus vulgaris),
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Bouzouita, Kachouri, et al., 2003
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Antimicrobial activity of essential oils from Tunisian aromatic plants,
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Ogunwande, Olawore, et al., 2003
Ogunwande, I.A.; Olawore, N.O.; Kasali, A.A.; König, W.A.,
Chemical composition of the leaf volatile oils of Callitris intratropica R.T. Baker H.G. Smith from Nigeria,
Flavour Fragr. J., 2003, 18, 5, 387-389, https://doi.org/10.1002/ffj.1214
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Srivastava, Ahmad, et al., 2003
Srivastava, S.K.; Ahmad, A.; Syamsunder, K.V.; Aggarwal, K.K.; Shanuja, S.P.S.,
Essential oil composition of Callistemon viminalis leaves from India,
Flavour Fragr. J., 2003, 18, 5, 361-363, https://doi.org/10.1002/ffj.1143
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Buchin, Salmon, et al., 2002
Buchin, S.; Salmon, J.-C.; Carnat, A.-P.; Berger, T.; Bugaud, C.; Bosset, J.O.,
Identification de composés monoterpéniques, sesquiterpéniques et benzéniques dans un lait d'alpage très riche en ces substances,
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Mita, Tsitsimpikou, et al., 2002
Mita, E.; Tsitsimpikou, C.; Tsiveleka, L.; Petrakis, P.V.; Ortiz, A.; Vagias, C.; Roussis, V.,
Seasonal Variation of Oleoresin Terpenoids from Pinus halepensis and Pinus pinea and Host Selection of the Scale Insect Marchalina hellenica (Homoptera, Coccoidea, Margarodidae, Coelostonidiinae),
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Palá-Paúl, Velasco-Negueruela, et al., 2002
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Essential oil composition of the aerial parts of Cachrys sicula L.,
Flavour Fragr. J., 2002, 17, 1, 64-68, https://doi.org/10.1002/ffj.1042
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Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139
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Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Jain, N.; Ahmad, A.; Syamasundar, K.V.; Aggarwal, K.K.,
Essential oil composition of Curcuma longa L. cv. Roma from the plains of northern India,
Flavour Fragr. J., 2002, 17, 2, 99-102, https://doi.org/10.1002/ffj.1053
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Salido, Altarejos, et al., 2002
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Pannecouque, C.; Witvrouw, M.; De Clercq, E.,
Chemical studies of essential oils of Juniperus oxycedrus ssp. badia,
J. Ethnopharmacol., 2002, 81, 1, 129-134, https://doi.org/10.1016/S0378-8741(02)00045-4
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Yáñez, Pinzón, et al., 2002
Yáñez, X.; Pinzón, M.L.; Solano, F.; Sánchez, L.R.,
Chemical composition of the essential oil of Psidium caudatum McVaugh,
Molecules, 2002, 7, 9, 712-716, https://doi.org/10.3390/70900712
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Moreira, Sousa, et al., 2001
Moreira, D.L.; Sousa, P.O.; Pereira, N.A.; Cardoso, G.L.,
Effect of leaf essential oil from Piper solmsianum C.DC. in mice behaviour,
An. Acad. Bras. Cienc., 2001, 73, 1, 1-7, https://doi.org/10.1590/S0001-37652001000100004
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Nagalakshmi, Thangadurai, et al., 2001
Nagalakshmi, M.A.H.; Thangadurai, D.; Anuradha, T.; Pullaiah, T.,
Essential oil constituents of Melia dubia, a wild relative of Azadirachta indica growing in the Eastern Ghats of Peninsular India,
Flavour Fragr. J., 2001, 16, 4, 241-244, https://doi.org/10.1002/ffj.986
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Raina, Srivastava, et al., 2001
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S.,
Essential oil composition of Cinnamomum zeylanicum Blume leaves from Little Andaman, India,
Flavour Fragr. J., 2001, 16, 5, 374-376, https://doi.org/10.1002/ffj.1016
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Senatore and Rigano, 2001
Senatore, F.; Rigano, D.,
Essential oil of two Lippia spp. (Verbenaceae) growing wild in Guatemala,
Flavour Fragr. J., 2001, 16, 3, 169-171, https://doi.org/10.1002/ffj.972
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Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Adams, 2000, 3
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Adams, 2000, 4
Adams, R.P.,
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),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Kardali, Velasco-Negueruela, et al., 2000
Kardali, M.; Velasco-Negueruela, A.; Pérez-Alonso, M.,
Essential Oil Constituents of Sideritis ibanyezii Pau,
Botanica Complutensis, 2000, 24, 101-106. [all data]
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Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
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