Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester
- Formula: C12H24O3
- Molecular weight: 216.3172
- IUPAC Standard InChI: InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3
- IUPAC Standard InChIKey: DAFHKNAQFPVRKR-UHFFFAOYSA-N
- CAS Registry Number: 77-68-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Methylpropanoic acid, 3-hydroxy-2,4,4-trimethylpentyl ester; 3-hydroxy-2,2,4-trimethylpentyl isobutyrate
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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, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1380. | Xian Q., Chen H., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 20. min; Tstart: 50. C |
| Capillary | SPB-Sulfur | 1365.2 | de Lacy Costello, Evans, et al., 2001 | 30. m/0.32 mm/4. μm, 40. C @ 12.5 min, 4. K/min; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1380. | Xian, Chen, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 6 0C/min -> 150 0C (1 min) 10 0C/min -> 250 0C (10 min) |
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.
Xian Q., Chen H., et al., 2006
Xian Q.; Chen H.; Zou H.; Yin D.,
Chemical composition of essential oils of two submerged macrophytes, Ceratophyllum demersum L. and Vallisneria spiralis L.,
Flavour Fragr. J., 2006, 21, 3, 524-526, https://doi.org/10.1002/ffj.1588
. [all data]
de Lacy Costello, Evans, et al., 2001
de Lacy Costello, B.P.J.; Evans, P.; Ewen, R.J.; Gunson, H.E.; Jones, P.R.H.; Ratcliffe, N.M.; Spencer-Phillips, P.T.N.,
Gas chromatography-mass spectrometry analyses of volatile organic compounds from potato tubers inoculated with Phytophthora infestans or Fusarium coeruleum,
Plant Pathol., 2001, 50, 4, 489-496, https://doi.org/10.1046/j.1365-3059.2001.00594.x
. [all data]
Xian, Chen, et al., 2006
Xian, Q.-M.; Chen, H.-D.; Zou, H.-H.,
Allelopathic activity of volatile substance from submerged macrophytes on Microcystin aeruginosa,
Acta Ecologica Sinica, 2006, 26, 11, 3549-3554, https://doi.org/10.1016/S1872-2032(06)60054-1
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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