Ethyl tiglate

Formula: C₇H₁₂O₂
Molecular weight: 128.1690
IUPAC Standard InChI: InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
IUPAC Standard InChIKey: OAPHLAAOJMTMLY-GQCTYLIASA-N
CAS Registry Number: 5837-78-5
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:
Other names: Tiglic acid ethyl ester; 2-Butenoic acid, 2-methyl-, ethyl ester, (E)-; Crotonic acid, 2-methyl-, ethyl ester, (E)-; Ethyl α-methylcrotonate; (E)-2-Butenoic acid, 2-methyl-, ethyl ester; Ethyl (E)-2-methyl-2-butenoate; ethyl 2-methylcrotonate
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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	Polydimethyl siloxane with 5 % Ph groups	Polydimethyl siloxane with 5 % Ph groups	DB-5	SLB-5 MS	SLB-5 MS
Column length (m)			60.	30.	30.
Carrier gas			Helium	Helium	Helium
Substrate
Column diameter (mm)			0.25	0.25	0.25
Phase thickness (μm)			1.00	0.25	0.25
Program	not specified	not specified	40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)	50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)	not specified
I	939.	943.	944.	938.	929.
Reference	Robinson, Adams, et al., 2012	Robinson, Adams, et al., 2012	Miyazaki, Plotto, et al., 2011	Costa, De Fina, et al., 2008	Costa, De Fina, et al., 2008
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	SE-30
Column length (m)
Carrier gas
Substrate
Column diameter (mm)
Phase thickness (μm)
Program	not specified
I	922.
Reference	Vinogradov, 2004
Comment	MSDC-RI

References

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

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [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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