Propanoic acid, 2-propenyl ester
- Formula: C6H10O2
- Molecular weight: 114.1424
- IUPAC Standard InChI: InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
- IUPAC Standard InChIKey: XRFWKHVQMACVTA-UHFFFAOYSA-N
- CAS Registry Number: 2408-20-0
- 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: Propionic acid, allyl ester; Allyl propionate; C2H5C(O)OCH2CH=CH2; Allyl n-propionate
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Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 118218 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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. | 774. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 120. | 767. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 140. | 793. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 160. | 818. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 80. | 796. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
| Packed | Apiezon L | 120. | 738. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | Apiezon L | 160. | 744. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
| Packed | SE-30 | 150. | 770. | Allen and Haken, 1970 | Celite 560 silanized; Column length: 3.7 m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 100. | 1130. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 120. | 1167. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 80. | 1128. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 776. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 777. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O.,
Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcohols,
J. Chromatogr., 1985, 324, 343-353, https://doi.org/10.1016/S0021-9673(01)81333-9
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Allen and Haken, 1970
Allen, I.D.; Haken, J.K.,
Gas chromatography of homologous esters. Part IV. Influence of stationary phase polarity on retention of unsaturated esters,
J. Chromatogr., 1970, 51, 415-422, https://doi.org/10.1016/S0021-9673(01)96890-6
. [all data]
Tohar, Mohd, et al., 2006
Tohar, N.; Mohd, M.A.; Jantan, I.; Awang, K.,
A comparative study of the essential oils of the genus Plumeria Linn. from Malaysia,
Flavour Fragr. J., 2006, 21, 6, 859-863, https://doi.org/10.1002/ffj.1617
. [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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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