cis-Rose oxide
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3
- IUPAC Standard InChIKey: CZCBTSFUTPZVKJ-UHFFFAOYSA-N
- CAS Registry Number: 876-17-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: (Z)-Rose oxide; (+)-cis-rose oxide; (-)-cis-rose oxide; c-rose oxide; Rose oxide, cis; 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-, (2R,4S)-rel-
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Normal alkane RI, non-polar column, custom temperature program
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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | DB-5 | SE-30 | SE-30 |
| Column length (m) | 30. | ||||
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | ||||
| Phase thickness (μm) | 0.25 | ||||
| Program | not specified | not specified | 50C(1min) => 3C/min => 250C(10min) => 20C/min => 280C (5min) | not specified | not specified |
| I | 1112. | 1114. | 1110. | 1098. | 1097. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Parker, Pollnitz, et al., 2007 | Vinogradov, 2004 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | DB-5 | SE-54 | Polydimethyl siloxanes | SE-54 |
| Column length (m) | 25. | 30. | 30. | 30. | |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
| Phase thickness (μm) | 0.39 | 0.25 | 0.25 | 0.3 | |
| Program | not specified | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | not specified | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 230C(10min) |
| I | 1096. | 1112. | 1112. | 1097. | 1117. |
| Reference | Weyerstahl, Marschall, et al., 1998 | Guth, 1997 | Guth, 1997 | Zenkevich, 1997 | Blank, Fischer, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 2.5 |
| Carrier gas | N2 |
| Substrate | Chromosorb G 60-80mesh DMCS |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Program | not specified |
| I | 1100. |
| Reference | Swigar and Silverstein, 1981 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Parker, Pollnitz, et al., 2007
Parker, M.; Pollnitz, A.P.; Cozzolino, D.; Leigh Francis, I.; Herderich, M.J.,
Identification and Quantification of a Marker Compound for 'Pepper' Aroma and Flavor in Shiraz Grape Berries by Combination of Chemometrics and Gas Chromatography-Mass Spectrometry,
J. Agric. Food Chem., 2007, 55, 15, 5948-5955, https://doi.org/10.1021/jf0705320
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Guth, 1997
Guth, H.,
Identification of character impact odorants of different white wine varieties,
J. Agric. Food Chem., 1997, 45, 8, 3022-3026, https://doi.org/10.1021/jf9608433
. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Blank, Fischer, et al., 1989
Blank, I.; Fischer, K.-H.; Grosch, W.,
Intensive neutral odourants of linden honey,
Z. Lebensm. Unters. Forsch., 1989, 189, 5, 426-433, https://doi.org/10.1007/BF01028316
. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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