Ethyl Vanillin
- Formula: C9H10O3
- Molecular weight: 166.1739
- IUPAC Standard InChIKey: CBOQJANXLMLOSS-UHFFFAOYSA-N
- CAS Registry Number: 121-32-4
- 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. - Other names: Benzaldehyde, 3-ethoxy-4-hydroxy-; Bourbonal; Ethavan; Ethovan; Ethylprotal; Protocatechuic aldehyde 3-ethyl ether; Quantrovanil; Vanilal; Vanillal; Vanirom; 3-Ethoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3-ethoxybenzaldehyde; Vanillin, ethyl-; Ethylprotocatechualdehyde-3-ethyl ether; Ethylprotocatechuic aldehyde; Rhodiarome; Vanbeenol; 2-Ethoxy-4-formylphenol; NSC 1803; Protocatechuic aldehyde ethyl ether; 3-Ethoxy-4-hydroxybenzadehyde (ethyl vanillin)
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Phase change data
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
24.26 | 311. | Stephenson and Malanowski, 1987 | Based on data from 296. to 338. K. See also Hunt, Saunders, et al., 1957 and Jones, 1960. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
---|---|---|---|
5.52 | 349.8 | DSC | Temprado, Roux, et al., 2008 |
Gas Chromatography
Go To: Top, Phase change data, References, Notes
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 100. | 1433.0 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 1452. | Simionatto, Porto, et al., 2005 | 25. m/0.25 mm/0.2 μm, H2, 4. K/min; Tstart: 50. C; Tend: 250. C |
Packed | SE-30 | 1446. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1453. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1448. | Vinogradov, 2004 | Program: not specified |
Capillary | OV-101 | 1448. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 2514. | Vinogradov, 2004 | Program: not specified |
Capillary | Carbowax 20M | 2414. | Shibamoto, 1987 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Hunt, Saunders, et al., 1957
Hunt, B.B.; Saunders, B.C.; Joshi, Shiam Sunder; Deorha, Daleep Singh; Bickel, A.F.; Kooyman, E.C.; Hill, R.A.W.; Williamson, J.F.; Littlewood, R.; Ross, W.C.J.; Davis, W.; Carruthers, W.; Gray, J.D.; Williams, A.J.; Le F«65533»vre, R.J.W.; Colbran, R.L.; Nevell, T.P.; Humphries, A.R.; Nicholson, G.R.,
Notes,
J. Chem. Soc., 1957, 2413, https://doi.org/10.1039/jr9570002413
. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Temprado, Roux, et al., 2008
Temprado, M.; Roux, María Victoria; Chickos, J.S.,
Some thermophysical properties of several solid aldehydes,
J Therm Anal Calorim, 2008, 94, 1, 257-262, https://doi.org/10.1007/s10973-007-8883-0
. [all data]
Tudor, 1997
Tudor, E.,
Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations,
J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6
. [all data]
Simionatto, Porto, et al., 2005
Simionatto, E.; Porto, C.; da Silva, U.F.; Squizani, A.; Dalcol, I.I.; Morel, A.F.,
Composition and antimicrobial activity of the essential oil from Aloysia sellowii,
J. Braz. Chem. Soc., 2005, 16, 6B, 1458-1462, https://doi.org/10.1590/S0103-50532005000800028
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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