2-methylpropanoic Acid-2,2-dimethyl-1-(2-hydroxy-1-methylethyl)

2-methylpropanoic acid-2,2-dimethyl-1-(2-hydroxy-1-methylethyl)-propyl ester

• Formula: C12H24O3
• Molecular weight: 216.3172
• IUPAC Standard InChI: InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3 Copy
• IUPAC Standard InChIKey: YXISVHDWGVMPGJ-UHFFFAOYSA-N Copy
• Chemical structure: This structure is also available as a 2d Mol file
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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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1365.	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	1350.7	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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1365.	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

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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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