2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-

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/t9-,10-/m1/s1
IUPAC Standard InChIKey: CZCBTSFUTPZVKJ-NXEZZACHSA-N
CAS Registry Number: 16409-43-1
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: Rose oxide; 2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-; Rosoxide; Rose oxide L; Pyran, tetrahydro-2-(2-methyl-1-propenyl)-4-methyl-; Pyran, 2-(2-methyl-1-propenyl)-4-methyltetrahydro-; 4-Methyl-2-(2-methyl-1-propenyl)tetrahydro-2H-pyran; Rosenoxide; Tetrahydro-4-methyl-2-[2-methyl-1-propenyl]-2H-pyran; 2H-Pyran, tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-; Pyran, tetrahydro-4-methyl-2-(2-methylpropenyl)-; cis Rose oxide; Rose oxide , I; tetrahydro-4-methyl-2-(2-methylprop-1-enyl)pyran
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Other data available:
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Normal alkane RI, non-polar column, custom temperature program

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5	DB-1	HP-5	HP-5
Column length (m)	25.	25.	60.	30.	30.
Carrier gas	Helium	Helium	Helium
Substrate
Column diameter (mm)	0.32	0.32	0.25	0.25	0.25
Phase thickness (μm)	0.17	0.17	0.25	0.25	0.25
Program	60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)	not specified	50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)	40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)	not specified
I	1107.	1108.	1102.	1109.	1111.
Reference	Custer, 2009	Custer, 2009	Delort and Jaquier, 2009	Zhao, Li, et al., 2008	Zhao, Li, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G., EXtraction, preparation and identification of volatile compounds in Changyu XO brandy, Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0 . [all data]

Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B., Influence of urban environment on chemical composition of Tilia cordata essential oil, Chemija, 2007, 18, 1, 44-49. [all data]

Shang, Hu, et al., 2001
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography - mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2001, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

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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