Aromandendrene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3
- IUPAC Standard InChIKey: ITYNGVSTWVVPIC-UHFFFAOYSA-N
- CAS Registry Number: 489-39-4
- 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: 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1aα,4aα,7α,7aβ,7bα)]-; 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7R,7aR,7bS)-(+)-; (1aR,4aR,7R,7aR,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene; Aromadendr-7(15)-ene; (+)-Aromadendrene; Aromadendrene, (+)-; 1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulene-, [1aR-(1aα,4aα,7α,7aβ,7bα)]-; [1aR-(1aα,4aα,7α,7aβ,7bα)]-decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulene
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 533. - 538. | K | N/A | Buckingham and Donaghy, 1982 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 249389 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 150. | 1455. | Viswanathan, Maridass, et al., 2002 | 28. m/0.25 mm/0.25 μm, He |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1635. | Umano, Hagi, et al., 1994 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1440. | Saroglou, Marin, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-1 | 1439. | Rezazadeh, Hamedani, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1441. | Rezazadeh, Hamedani, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1439. | Karioti, Skaltsa, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 1637. | Saroglou, Marin, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | CP-Wax 52CB | 1622. | Kjeldsen, Christensen, et al., 2003 | 50. m/0.25 mm/0.2 μm, He, 32. C @ 1. min, 1. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1447. | Elias, Simoneit, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 65. C @ 2. min, 4. K/min; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1436. | Chokeprasert P., Charles A.L., et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 230C(2min) |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Viswanathan, Maridass, et al., 2002
Viswanathan, M.B.; Maridass, M.; Thangadurai, D.; Ramesh, N.,
Chemical constituents of the fruit essential oil of Diospyros malabarica (Desr.) Kostel (Ebenaceae),
Acta Pharmaceutica, 2002, 52, 207-211. [all data]
Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T.,
Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle),
J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011
. [all data]
Saroglou, Marin, et al., 2007
Saroglou, V.; Marin, P.D.; Rancic, A.; Veljic, M.; Skaltsa, H.,
Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia,
Biochem. Syst. Ecol., 2007, 35, 3, 146-152, https://doi.org/10.1016/j.bse.2006.09.009
. [all data]
Rezazadeh, Hamedani, et al., 2006
Rezazadeh, S.; Hamedani, M.P.; Dowlatabadi, R.; Yazdani, D.; Shafiee, A.,
Chemical composition of the essential oils of Stachys schtschegleevii Sosn. and Stachys balansae Boiss Kotschy from Iran,
Flavour Fragr. J., 2006, 21, 2, 290-293, https://doi.org/10.1002/ffj.1587
. [all data]
Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B.,
Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture,
J. Agric. Food Chem., 2003, 51, 22, 6505-6508, https://doi.org/10.1021/jf030308k
. [all data]
Kjeldsen, Christensen, et al., 2003
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M.,
Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage,
J. Agric. Food Chem., 2003, 51, 18, 5400-5407, https://doi.org/10.1021/jf030212q
. [all data]
Elias, Simoneit, et al., 1997
Elias, V.O.; Simoneit, B.R.T.; Cardoso, J.N.,
Analysis of volatile sesquiterpenoids in environmental and geological samples,
J. Hi. Res. Chromatogr., 1997, 20, 6, 305-309, https://doi.org/10.1002/jhrc.1240200602
. [all data]
Chokeprasert P., Charles A.L., et al., 2007
Chokeprasert P.; Charles A.L.; Sue K.H.; Huang T.C.,
Volatile components of the leaves, fruits and seeds of wampee [Clausena lansium (Lour.) Skeels],
J. Food Comp. Anal., 2007, 20, 1, 52-56, https://doi.org/10.1016/j.jfca.2006.07.002
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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