(4aS,7R)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
- Formula: C15H24O2
- Molecular weight: 236.3499
- IUPAC Standard InChI: InChI=1S/C15H24O2/c1-10-12-9-11(14(2,3)17)5-7-15(12,4)8-6-13(10)16/h11,17H,5-9H2,1-4H3
- IUPAC Standard InChIKey: ZWSWPQHKDLDIDL-UHFFFAOYSA-N
- CAS Registry Number: 473-10-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (4aS,7R)-; 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, (4aS-cis)-; Carissone; Eudesm-4-en-3-one, 11-hydroxy-; (+)-Carissone; Carisson
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Gas Chromatography
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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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1883. | Raharivelomanana, Cambon, et al., 1993 | 6. K/min, 240. C @ 10. min; Column length: 15. m; Column diameter: 0.32 mm; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1926. | Yu, Liao, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 250. C @ 10. min; Tstart: 50. C |
| Capillary | CP Sil 5 CB | 1879. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1935.7 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1895. | Lesueur, Ban, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1922. | Pino, Marbot, et al., 2006 | 30. m/0.25 mm/0.25 μm, Hydrogen, 70. C @ 4. min, 4. K/min; Tend: 280. C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 2627. | Lesueur, Ban, et al., 2006 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Raharivelomanana, Cambon, et al., 1993
Raharivelomanana, P.; Cambon, A.; Azzaro, M.; Bianchini, J.-P.; Claude-Lafontaine, A.; George, G.,
Volatile Constituents of Neocallitropsis pancheri (Carriere) de Laubenfels Heartwood Extracts (Cupressaceae),
J. Essent. Oil Res., 1993, 5, 6, 587-595, https://doi.org/10.1080/10412905.1993.9698289
. [all data]
Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L.,
Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima,
Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A.,
Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit,
J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J.,
Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and 13C-NMR,
Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557
. [all data]
Pino, Marbot, et al., 2006
Pino, J.A.; Marbot, R.; Payo, A.; Chao, D.; Herrera, P.,
Aromatic Plants from Western Cuba VII. Composition of the Leaf Oil of Psidium wrightii KRug et Urb., Lantana involucrata L., Cinnamonum montanum (Sw.) Berchtold et J. Persl. and Caesalpinia violacea (Mill.) Standley,
J. Essent. Oil. Res., 2006, 18, 2, 170-174, https://doi.org/10.1080/10412905.2006.9699058
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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