Aromadendrene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: ITYNGVSTWVVPIC-ZPJPVDRXSA-N
- CAS Registry Number: 109119-91-7
- 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. - Stereoisomers:
- Other names: Aromadendren
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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-5MS | HP-5MS | HP-5MS | HP-1 | CP Sil 8 CB |
Column length (m) | 30. | 30. | 60. | 60. | 30. |
Carrier gas | He | He | He | He | H2 |
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) | 60. | 60. | 40. | 60. | 50. |
Tend (C) | 180. | 280. | 250. | 200. | 220. |
Heat rate (K/min) | 3. | 2. | 3. | 4. | 3. |
Initial hold (min) | 8. | 1. | 5. | 2. | |
Final hold (min) | 15. | 30. | 20. | 25. | |
I | 1436. | 1439. | 1484. | 1469. | 1473. |
Reference | Angioni, Barra, et al., 2006 | Hazzit, Baaliouamer, et al., 2006 | Jalali-Heravi, Zekavat, et al., 2006 | Meccia G., Rosquete C., et al., 2006 | Tayoub, Schwob, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | BP-5 | DB-5MS | CP Sil 8 CB | HP-5MS |
Column length (m) | 30. | 50. | 30. | 30. | 30. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 60. | 50. | 70. |
Tend (C) | 240. | 260. | 240. | 220. | 250. |
Heat rate (K/min) | 3. | 5. | 3. | 3. | 3. |
Initial hold (min) | 2. | 2. | 5. | ||
Final hold (min) | 5. | ||||
I | 1485. | 1443. | 1440. | 1438. | 1431. |
Reference | Tepe, Askin Akpulat, et al., 2006 | Baranauskiene, Venskutonis, et al., 2005 | Maia, Andrade, et al., 2005 | Schwob, Bessiere, et al., 2004 | Siani, Garrido, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | CP Sil 5 CB | CP Sil 5 CB | HP-5 |
Column length (m) | 30. | 30. | 25. | 25. | 30. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.15 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 50. | 60. |
Tend (C) | 240. | 230. | 230. | 280. | |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 30. | ||||
I | 1440. | 1419. | 1442. | 1442. | 1427. |
Reference | Lucero, Estell, et al., 2003 | Marongiu, Piras, et al., 2003 | Ogunwande, Olawore, et al., 2003 | Ogunwande, Olawore, et al., 2003, 2 | Özcan, Tzakou, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | SPB-1 | SE-30 |
Column length (m) | 30. | 60. | 25. | 30. | 25. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.32 | 0.22 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 60. | 60. | 70. |
Tend (C) | 250. | 230. | 240. | 225. | 220. |
Heat rate (K/min) | 0.5 | 3. | 3. | 2. | 4. |
Initial hold (min) | 5. | 5. | 2. | ||
Final hold (min) | 10. | 2. | 5. | ||
I | 1438. | 1452. | 1436. | 1435. | 1443. |
Reference | Viña and Murillo, 2003 | Buchin, Salmon, et al., 2002 | El-Ghorab, Fadel, et al., 2002 | Jayaprakasha, Rao, et al., 2002 | Palá-Paúl, Velasco-Negueruela, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | DB-1 | DB-1 | DB-5 | HP-5MS |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 40. | 80. | 60. | 60. |
Tend (C) | 220. | 260. | 225. | 180. | 280. |
Heat rate (K/min) | 5. | 2. | 4. | 2. | 3. |
Initial hold (min) | 5. | ||||
Final hold (min) | 20. | ||||
I | 1448. | 1424. | 1425. | 1444. | 1449. |
Reference | Raina, Lal, et al., 2002 | Senatore and Rigano, 2001 | Abella, Cortella, et al., 2000 | Rao, Rout, 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 | HP-5MS | Methyl Silicone | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 70. | 60. | 40. | 40. |
Tend (C) | 260. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 2. | 3. | 2. | 2. | 2. |
Initial hold (min) | 5. | 5. | 2. | 5. | 5. |
Final hold (min) | 20. | 5. | 20. | 20. | |
I | 1419. | 1431. | 1458. | 1419. | 1419. |
Reference | Senatore and de Feo, 1999 | Siani, Ramos, et al., 1999 | Adegoke, Rao, et al., 1998 | de Feo, Porta, et al., 1998 | Senatore, Urrunaga Soria, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | SE-30 | SE-30 | DB-5 |
Column length (m) | 30. | 30. | 25. | 25. | 30. |
Carrier gas | He | He | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.2 | |
Phase thickness (μm) | 0.25 | 0.25 | |||
Tstart (C) | 40. | 60. | 60. | 60. | 40. |
Tend (C) | 250. | 240. | 180. | 180. | 210. |
Heat rate (K/min) | 2. | 4. | 3. | 3. | 2. |
Initial hold (min) | 5. | 10. | 10. | 2. | |
Final hold (min) | 20. | 1. | 1. | 120. | |
I | 1419. | 1463. | 1446. | 1444. | 1435. |
Reference | Senatore, 1998 | Zoghbi, Andrade, et al., 1998 | Jantan, Ahmad, et al., 1996 | Jantan, Ali, et al., 1995 | Loayza, Abujder, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | SPB-1 |
Column length (m) | 50. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.20 |
Phase thickness (μm) | |
Tstart (C) | 35. |
Tend (C) | 200. |
Heat rate (K/min) | 3. |
Initial hold (min) | 5. |
Final hold (min) | 20. |
I | 1459. |
Reference | Wong and Tie, 1993 |
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.
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]
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034
. [all data]
Meccia G., Rosquete C., et al., 2006
Meccia G.; Rosquete C.; Rojas L.B.; San Felician A.,
New labdane derivative from the essential oil of Acalypha plicata Mull.Arg.,
Flavour Fragr. J., 2006, 21, 3, 559-561, https://doi.org/10.1002/ffj.1679
. [all data]
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Tepe, Askin Akpulat, et al., 2006
Tepe, B.; Askin Akpulat, H.; Sokmen, M.; Daferera, D.; Yumrutas, O.; Aydin, E.; Polissiou, M.; Sokmen, A.,
Screening of the antioxidative and antimicrobial properties of the essential oils of Pimpinella anisetum and Pimpinella flabellifolia from Turkey,
Food Chem., 2006, 97, 4, 719-724, https://doi.org/10.1016/j.foodchem.2005.05.045
. [all data]
Baranauskiene, Venskutonis, et al., 2005
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of sweet marjoram (Origanum majorana L.) aroma,
Flavour Fragr. J., 2005, 20, 5, 492-500, https://doi.org/10.1002/ffj.1478
. [all data]
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,
Flavour Fragr. J., 2005, 20, 5, 474-477, https://doi.org/10.1002/ffj.1499
. [all data]
Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J.,
Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle,
Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005
. [all data]
Siani, Garrido, et al., 2004
Siani, A.C.; Garrido, I.S.; Monteiro, S.S.; Carvalho, E.S.; Ramos, M.F.S.,
Protium icicariba as a source of volatile essences,
Biochem. Syst. Ecol., 2004, 32, 5, 477-489, https://doi.org/10.1016/j.bse.2003.11.003
. [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]
Ogunwande, Olawore, et al., 2003, 2
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
. [all data]
Özcan, Tzakou, et al., 2003
Özcan, M.; Tzakou, O.; Couladis, M.,
Essential oil composition of Turkish herbal tea (Salvia aucheri Bentham var. canescens Boiss. Heldr.),
Flavour Fragr. J., 2003, 18, 4, 325-327, https://doi.org/10.1002/ffj.1229
. [all data]
Viña and Murillo, 2003
Viña, A.; Murillo, E.,
Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008
. [all data]
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,
Mitt. Lebensmittelunters. Hyg., 2002, 93, 199-216. [all data]
El-Ghorab, Fadel, et al., 2002
El-Ghorab, A.H.; Fadel, H.M.; El-Massry, K.F.,
The Egyptian Eucalyptus camaldulensis var. brevirostris: chemical compositions of the fruit volatile oil and antioxidant activity,
Flavour Fragr. J., 2002, 17, 4, 306-312, https://doi.org/10.1002/ffj.1085
. [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]
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
. [all data]
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
. [all data]
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
. [all data]
Abella, Cortella, et al., 2000
Abella, L.; Cortella, A.R.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.,
Ethnobotany, volatile oils and secretion tissues of Werneria poposa from Argentina,
Pharm. Biol., 2000, 38, 3, 197-203, https://doi.org/10.1076/1388-0209(200007)3831-SFT197
. [all data]
Rao, Rout, et al., 2000
Rao, Y.R.; Rout, P.K.; Jena, K.S.; Sahu, S.B.,
Composition of essential oil of citronella (Cymbopogon winterianus jowitt) grown in coastal Orissa,
Fafai J., 2000, 2, 4, 29-31. [all data]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
Biochem. Syst. Ecol., 2000, 28, 2, 163-175, https://doi.org/10.1016/S0305-1978(99)00046-0
. [all data]
Senatore and de Feo, 1999
Senatore, F.; de Feo, V.,
Chemical composition of the essential oil from Tagetes mandonii Sch. Bip. (Asteraceae),
Flavour Fragr. J., 1999, 14, 1, 32-34, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<32::AID-FFJ772>3.0.CO;2-7
. [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]
Adegoke, Rao, et al., 1998
Adegoke, G.O.; Rao, L.J.M.; Shankaracharya, N.B.,
A comparison of the essential oils of Aframomum daniellii (Hook. f.) K. Schum. and Amomum subulatum Roxb,
Flavour Fragr. J., 1998, 13, 5, 349-352, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<349::AID-FFJ758>3.0.CO;2-O
. [all data]
de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F.,
Composition of the essential oil of Tagetes filifolia Lag.,
Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q
. [all data]
Senatore, Urrunaga Soria, et al., 1998
Senatore, F.; Urrunaga Soria, E.; Urrunaga Soria, R.; Porta, G.D.; de Feo, V.,
Essential oil from two peruvian Satureja species,
Flavour Fragr. J., 1998, 13, 1, 1-4, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<1::AID-FFJ672>3.0.CO;2-4
. [all data]
Senatore, 1998
Senatore, F.,
Volatile constituents of Minthostachys setosa (Briq.) Epl. (Lamiaceae) from Peru,
Flavour Fragr. J., 1998, 13, 4, 263-265, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<263::AID-FFJ738>3.0.CO;2-H
. [all data]
Zoghbi, Andrade, et al., 1998
Zoghbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; Silva, M.H.L.; Maia, J.G.S.,
Essential oils of Lippia alba (Mill.) N. E. Br growing wild in the Brazilian Amazon,
Flavour Fragr. J., 1998, 13, 1, 47-48, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<47::AID-FFJ690>3.0.CO;2-0
. [all data]
Jantan, Ahmad, et al., 1996
Jantan, I.; Ahmad, A.S.; Ahmad, A.R.; Ali, N.A.M.; Ayop, N.,
Chemical composition of some citrus oils from Malaysia,
J. Essent. Oil Res., 1996, 8, 6, 627-632, https://doi.org/10.1080/10412905.1996.9701030
. [all data]
Jantan, Ali, et al., 1995
Jantan, I.; Ali, N.A.M.; Ahmad, A.S.; Ahmad, A.R.,
Constituents of the essential oil of Leptospermum javanicum blume from peninsular Malaysia,
Flavour Fragr. J., 1995, 10, 4, 255-258, https://doi.org/10.1002/ffj.2730100406
. [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]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [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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