α-Calacorene
- Formula: C15H20
- Molecular weight: 200.3193
- IUPAC Standard InChI: InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3
- IUPAC Standard InChIKey: CUUMXRBKJIDIAY-UHFFFAOYSA-N
- CAS Registry Number: 21391-99-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene, (S)-; α-Calacorene, (+)-; Cadina-1,3,5,9-tetraene; α-Calacorene I; (E)-Calacorene; α-Calacorene (isomer II)
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- Other data available:
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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-1 | DB-5 | DB-5 | DB-5 | SPB-5 |
| Column length (m) | 25. | 30. | 30. | 60. | |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.26 | 0.26 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | ||
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 246. | 246. | 240. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 4. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 30. | ||||
| I | 1538. | 1546. | 1542. | 1542. | 1560. |
| Reference | Mevy, Bessiere, et al., 2006 | Adams, Morris, et al., 2005 | Adams and Nguyen, 2005 | Shatar S., 2005 | Gauvin, Lecomte, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5MS | DB-5 | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | 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 | 0.15 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 280. | 280. | 240. | 230. | |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 30. | ||||
| I | 1522. | 1524. | 1543. | 1523. | 1534. |
| Reference | Couladis, Chinou, et al., 2003 | Gkinis, Tzakou, et al., 2003 | Lucero, Estell, et al., 2003 | Marongiu, Piras, et al., 2003 | Ogunwande, Olawore, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | SPB-1 | HP-5MS | BP-1 | PTE-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 60. |
| Carrier gas | N2 | He | He | N2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.39 |
| Tstart (C) | 60. | 60. | 50. | 60. | 60. |
| Tend (C) | 220. | 225. | 250. | 220. | 285. |
| Heat rate (K/min) | 5. | 2. | 3. | 5. | 4.3 |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 15. | 5. | 13. | ||
| I | 1532. | 1520. | 1542. | 1539. | 1546. |
| Reference | Raina, Srivastava, et al., 2003 | Jayaprakasha, Rao, et al., 2002 | Salido, Altarejos, et al., 2002 | Shawl, Srivastava, et al., 2002 | Gudzic, Dordevic, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | DB-5 | HP-5MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.26 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 60. | 50. | 70. | 40. |
| Tend (C) | 280. | 246. | 250. | 250. | 210. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
| Initial hold (min) | 5. | 5. | 2. | ||
| Final hold (min) | 120. | ||||
| I | 1540. | 1542. | 1550. | 1536. | 1537. |
| Reference | Tzakou and Couladis, 2001 | Adams, 2000 | Tzakou, Harvala, et al., 2000 | Siani, Ramos, et al., 1999 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 40. |
| Tend (C) | 210. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 2. |
| Final hold (min) | 120. |
| I | 1541. |
| Reference | Loayza, Abujder, et al., 1995 |
| Comment | 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.
Mevy, Bessiere, et al., 2006
Mevy, J.P.; Bessiere, J.M.; Rabier, J.; Dherbomez, M.; Ruzzier, M.; Millogo, J.; Viano, J.,
Composition and antimicrobial activities of the essential oil of Triumfetta rhomboidea Jacq.,
Flavour Fragr. J., 2006, 21, 1, 80-83, https://doi.org/10.1002/ffj.1511
. [all data]
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,
Biochem. Syst. Ecol., 2005, 33, 8, 771-787, https://doi.org/10.1016/j.bse.2005.01.001
. [all data]
Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S.,
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),
Phytologia, 2005, 87, 2, 96-108. [all data]
Shatar S., 2005
Shatar S.,
Essential oil of Ferula ferulaoides from Western Mongolia,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 5, 607-608, https://doi.org/10.1007/s10600-005-0222-8
. [all data]
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Couladis, Chinou, et al., 2003
Couladis, M.; Chinou, I.B.; Tzakou, O.; Petrakis, P.V.,
Composition and antimicrobial activity of the essential oil of Hypericum rumeliacum subsp. apollinis (Boiss. Heldr.),
Phytother. Res., 2003, 17, 2, 152-154, https://doi.org/10.1002/ptr.1093
. [all data]
Gkinis, Tzakou, et al., 2003
Gkinis, G.; Tzakou, O.; Iliopoulou, D.; Roussis, V.,
Chemical Composition and Biological Activity of Nepeta parnassica Oils and Isolated Nepetalactones,
Z. Naturforsch. C:, 2003, 58, 681-686. [all data]
Lucero, Estell, et al., 2003
Lucero, M.E.; Estell, R.E.; Frederickson, E.L.,
The essential oil composition of Psorothamnus scoparius (A. Gray) Rydb.,
J. Essent. Oil Res., 2003, 15, 2, 108-111, https://doi.org/10.1080/10412905.2003.9712083
. [all data]
Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M.,
Extraction, separation and isolation of essential oils from natural matrices by supercritical CO2,
Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258
. [all data]
Ogunwande, Olawore, et al., 2003
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.; Koenig, W.A.,
Chemical composition of the leaf volatile oil of Psidium guajava L. growing in Nigeria,
Flavour Fragr. J., 2003, 18, 2, 136-138, https://doi.org/10.1002/ffj.1175
. [all data]
Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V.,
Essential oil composition of Acorus calamus L. from the lower region of the Himalayas,
Flavour Fragr. J., 2003, 18, 1, 18-20, https://doi.org/10.1002/ffj.1136
. [all data]
Jayaprakasha, Rao, et al., 2002
Jayaprakasha, G.K.; Rao, L.J.; Sakariah, K.K.,
Chemical composition of volatile oil from Cinnamomum zeylanicum buds,
Z. Naturforsch. C:, 2002, 57c, 990-993, retrieved from http://www.znaturforsch.com/57c/s57c0990.pdf. [all data]
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
. [all data]
Shawl, Srivastava, et al., 2002
Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K.,
Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India,
Flavour Fragr. J., 2002, 17, 3, 165-168, https://doi.org/10.1002/ffj.1074
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Adams, 2000
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]
Tzakou, Harvala, et al., 2000
Tzakou, O.; Harvala, C.; Galati, E.M.; Sanogo, R.,
Essential oil composition of Nepeta argolica Borey et Chaub. subsp. argolica,
Flavour Fragr. J., 2000, 15, 2, 115-118, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<115::AID-FFJ877>3.0.CO;2-9
. [all data]
Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O.,
Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium,
J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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