Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1α,7β,8aα)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3
- IUPAC Standard InChIKey: QEBNYNLSCGVZOH-UHFFFAOYSA-N
- CAS Registry Number: 4630-07-3
- 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: 4βH,5α-Eremophila-1(10),11-diene; (+)-Valencene; Valencen; Valencene; 4α,10α-Dimethyl-6β-isopropyl-δ1,9-octalin; Valencene 85; 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene; Isoeremophilene; [1R-(1α,7β,8α)]-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene
- 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 | DB-5 | DB-5 | SPB-1 | DB-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 25. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 50. | 60. |
| Tend (C) | 180. | 210. | 180. | 250. | 240. |
| Heat rate (K/min) | 3. | 2. | 5. | 2. | 3. |
| Initial hold (min) | 2. | 6. | 2. | ||
| Final hold (min) | 15. | 33. | 15. | 5. | |
| I | 1479. | 1495. | 1493. | 1474. | 1476. |
| Reference | Angioni, Barra, et al., 2006 | Sylvestre, Pichette, et al., 2006 | Merle, Morón, et al., 2004 | Yadav, Chauhan, et al., 2004 | El-Ghorab, Fadel, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | DB-5 | DB-1 | HP-5 | DB-5 |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.20 | 0.25 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 40. | 60. | 60. |
| Tend (C) | 225. | 240. | 260. | 280. | 246. |
| Heat rate (K/min) | 2. | 5. | 2. | 3. | 3. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 5. | 20. | |||
| I | 1458. | 1491. | 1471. | 1489. | 1491. |
| Reference | Jayaprakasha, Rao, et al., 2002 | Akrout, Chemli, et al., 2001 | Senatore and Rigano, 2001 | Tzakou and Couladis, 2001 | Adams, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-5 | HP-5MS | Methyl Silicone | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 40. | 70. | 60. | 60. |
| Tend (C) | 280. | 260. | 250. | 250. | 280. |
| Heat rate (K/min) | 3. | 2. | 3. | 2. | 5. |
| Initial hold (min) | 5. | 5. | 2. | ||
| Final hold (min) | 20. | 5. | |||
| I | 1491. | 1474. | 1484. | 1484. | 1472. |
| Reference | Roussis, Tsoukatou, et al., 2000 | Senatore and de Feo, 1999 | Siani, Ramos, et al., 1999 | Adegoke, Rao, et al., 1998 | Kaul and Vats, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | BPX-5 | DB-5 | DB-1 | DB-1 |
| Column length (m) | 50. | 30. | 60. | 60. |
| Carrier gas | N2 | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.22 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 40. | 30. | 30. |
| Tend (C) | 185. | 210. | 210. | 210. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. |
| Initial hold (min) | 10. | 2. | 4. | 4. |
| Final hold (min) | 120. | |||
| I | 1490. | 1488. | 1481. | 1486. |
| Reference | Fournier, Hadjiakhoondi, et al., 1997 | Loayza, Abujder, et al., 1995 | Takeoka, Buttery, et al., 1992 | Takeoka, Buttery, et al., 1992 |
| 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.
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]
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,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [all data]
Merle, Morón, et al., 2004
Merle, H.; Morón, M.; Blázquez, A.; Boira, H.,
Taxonomical contribution of essential oils in mandarins cultivars,
Biochem. Syst. Ecol., 2004, 32, 5, 491-497, https://doi.org/10.1016/j.bse.2003.09.010
. [all data]
Yadav, Chauhan, et al., 2004
Yadav, A.R.; Chauhan, A.S.; Rekha, M.N.; Rao, L.J.M.; Ramteke, R.S.,
Flavour quality of dehydrated lime [Citrus aurantifolia (Christm.) Swingle],
Food Chem., 2004, 85, 1, 59-62, https://doi.org/10.1016/j.foodchem.2003.06.002
. [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]
Akrout, Chemli, et al., 2001
Akrout, A.; Chemli, R.; Chreïf, I.; Hammami, M.,
Analysis of the essential oil of Artemisia campestris L.,
Flavour Fragr. J., 2001, 16, 5, 337-339, https://doi.org/10.1002/ffj.1006
. [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]
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]
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]
Kaul and Vats, 1998
Kaul, V.K.; Vats, S.K.,
Essential oil composition of Bothriochloa pertusa and phyletic relationship in aromatic grasses,
Biochem. Syst. Ecol., 1998, 26, 3, 347-356, https://doi.org/10.1016/S0305-1978(97)00103-8
. [all data]
Fournier, Hadjiakhoondi, et al., 1997
Fournier, G.; Hadjiakhoondi, A.; Leboeuf, M.; Cavé, A.; Charles, B.,
Essential oils of annonaceae. Part VII. Essential oils of Monanthotaxis declina (Sprague) verdcourt and Unonopsis guatterioides R. E. Fries,
Flavour Fragr. J., 1997, 12, 2, 95-98, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<95::AID-FFJ611>3.0.CO;2-Z
. [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]
Takeoka, Buttery, et al., 1992
Takeoka, G.R.; Buttery, R.G.; Flath, R.A.,
Volatile constituents of Asian pear (Pyrus serotina),
J. Agric. Food Chem., 1992, 40, 10, 1925-1929, https://doi.org/10.1021/jf00022a040
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.