Isopropyl tiglate

Formula: C₈H₁₄O₂
Molecular weight: 142.1956
IUPAC Standard InChI: InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
IUPAC Standard InChIKey: VUPBIVVRPJDWNW-FNORWQNLSA-N
CAS Registry Number: 1733-25-1
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (E)-; 2-Butenoic acid, 2-methyl, 1-isopropyl ester (E)-; Isopropyl 2-methyl-2-butenoate; Isopropyl α-methyl crotonate; Isopropyl (2E)-2-methyl-2-butenoate; 2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (2E)-; Tiglic acid isopropyl ester; isopropyl 2-methylcrotonate
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	971.	Asuming, Beauchamp, et al., 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	952.	Utsunomia, Kawata, et al., 2005	30. m/0.32 mm/0.25 μm, Helium, 4. K/min, 300. C @ 5. min; T_start: 40. C
Capillary	SE-30+Igepal	958.	Shibamoto and Jennings, 1977	1. K/min; Column length: 100. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 170. C
Capillary	SE-30+Igepal	962.	Shibamoto and Jennings, 1977	1. K/min; Column length: 100. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 170. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	959.	Vinogradov, 2004	Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	1238.	Vinogradov, 2004	Program: not specified

References

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Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W., Essential oil composition of four Lomatium Raf. species and their chemotaxonomy, Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005 . [all data]

Utsunomia, Kawata, et al., 2005
Utsunomia, H.; Kawata, J.; Chanoki, W.; Shirakawa, N.; Miyazawa, M., Components of Essential Oil from Woods of Prunus mume Sieb. at Zucc., J. Oleo Sci., 2005, 54, 11, 609-612, https://doi.org/10.5650/jos.54.609 . [all data]

Shibamoto and Jennings, 1977
Shibamoto, T.; Jennings, W.G., The volatile composition of the leaf oil of California Juniper (J. californica Carr.) in Proceedings of VII International Congress of Essential Oils, October 7-11, 1977, Kyoto, Japan, 1977, 413-418. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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