cis-theaspirane

Formula: C₁₃H₂₂O
Molecular weight: 194.3132
IUPAC Standard InChI: InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
IUPAC Standard InChIKey: GYUZHTWCNKINPY-UHFFFAOYSA-N
CAS Registry Number: 43126-21-2
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.
Species with the same structure:
Stereoisomers:
- (E)-Theaspirane
Other names: (Z)-Theaspirane
Information on this page:
Options:
- Switch to calorie-based units

Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	1297.	Taiwo and Bolanle, 2003	25. m/0.25 mm/0.15 μm, 3. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-1	1290.	Binder, Turner, et al., 1990	4. K/min, 230. C @ 10. min; T_start: 50. C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1507.	Binder, Turner, et al., 1990	4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	Carbowax 20M	1524.	Mihara, Tateba, et al., 1988	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	1524.	Mihara, Tateba, et al., 1988	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	1524.	Mihara, Tateba, et al., 1987	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C
Capillary	Carbowax 20M	1524.	Mihara, Tateba, et al., 1987	N2, 3. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP Innowax FSP	1553.	Altintas, Kose, et al., 2004	60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, Gas Chromatography, Notes

Taiwo and Bolanle, 2003
Taiwo, A.O.; Bolanle, A.A., The leaf essential oil of Costus afer Ker-Grawl from Nigeria, Flavour Fragr. J., 2003, 18, 4, 309-311, https://doi.org/10.1002/ffj.1186 . [all data]

Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

Mihara, Tateba, et al., 1988
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K., The volatile components of Chinese quince (Pseudocydonia sinensis Schneid) in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 537-550. [all data]

Mihara, Tateba, et al., 1987
Mihara, S.; Tateba, H.; Nishimura, O.; Machii, Y.; Kishino, K., Volatile components of Chinese quince (Pseudocydonia sinensis Schneid), J. Agric. Food Chem., 1987, 35, 4, 532-537, https://doi.org/10.1021/jf00076a023 . [all data]

Altintas, Kose, et al., 2004
Altintas, A.; Kose, Y.B.; Yucel, E.; Demirci, B.; Baser, K.H.C., Composition of the essential oil of Centaurea dichroa, Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 6, 604-605, https://doi.org/10.1007/s10600-005-0051-9 . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.