(1R,3R,4R,5S)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-yl acetate-rel-
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7-8,10-11H,5-6H2,1-4H3
- IUPAC Standard InChIKey: RYMWIDNPMDLHRP-UHFFFAOYSA-N
- CAS Registry Number: 62181-90-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, 3-acetate, (1R,3R,4R,5S)-rel-; Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, acetate, (1R,3R,4R,5S)-rel-; Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, acetate, (1α,3α,4β,5α)-; Isothujyl acetate; Iso-3-thujyl acetate; Neo-3-Thujyl alcohol, acetate; Iso-3-Thujyl alcohol, acetate; isothujyl-3-acetate; Thujyl acetate(3-iso)
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 |
|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | HP-5 | HP-5 |
| Column length (m) | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. |
| Tend (C) | 265. | 250. | 280. | 240. |
| Heat rate (K/min) | 2.5 | 3. | 3. | 3. |
| Initial hold (min) | 1. | 3. | ||
| Final hold (min) | 20. | |||
| I | 1294. | 1273. | 1298. | 1305. |
| Reference | Iranshahi, Amin, et al., 2006 | Cégiéla-Carlioz, Bessière, et al., 2005 | Pitarokili, Tzakou, et al., 2003 | Novak, Langbehn, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G.,
Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds,
Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584
. [all data]
Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C.,
Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens,
J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534
. [all data]
Novak, Langbehn, et al., 2002
Novak, J.; Langbehn, J.; Pank, F.; Franz. C.M.,
Essential oil compounds in a historical sample of marjoram (Origanum majorana L., Lamiaceae),
Flavour Fragr. J., 2002, 17, 3, 175-180, https://doi.org/10.1002/ffj.1077
. [all data]
Notes
Go To: Top, Normal alkane 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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