(1S,2R,4R,7R)-4-Isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.02,4]octane
- Formula: C10H16O2
- Molecular weight: 168.2328
- IUPAC Standard InChI: InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3
- IUPAC Standard InChIKey: LEZWCCRTFNBOBU-UHFFFAOYSA-N
- CAS Registry Number: 1619-26-7
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 3,8-Dioxatricyclo[5.1.0.02,4]octane, 4-methyl-7-(1-methylethyl)-, (1R,2S,4R,7R)-; 3,8-Dioxatricyclo[5.1.0.02,4]octane, 4-methyl-7-(1-methylethyl)-, (1α,2α,4α,7α)-; Isoascaridol; p-Menthane, 1,2:3,4-diepoxy-; Isoascaridole
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1309.9 | 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 | HP-5 | 1303. | Bertoli, Lepnardi, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SLB-5 MS | 1308. | Scandinaro, Tranchida, et al., 2010 | 10. m/0.10 mm/0.10 μm, Helium, 10. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1302. | Koba, Catherine, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SLB-5 MS | 1306. | Scandinaro, Tranchida, et al., 2010 | 10. m/0.10 mm/0.10 μm, Helium; Program: not specified |
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.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L.,
Mentha longifolia in vitro cultures as safe source of flavouring ingradients,
Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]
Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L.,
Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures,
LCGC Europe, 2010, 23, 9, 456-464. [all data]
Koba, Catherine, et al., 2009
Koba, K.; Catherine, G.; Raynaud, C.; Chaumont, J.-P.; Sanda, K.; Laurence, N.,
Chemical composition and cytotoxic activity of Chenopodium ambrosioides L. essential oil from Togo,
Bangladesh J. Sci. Ind. Res., 2009, 44, 4, 435-440. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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