Butyric acid, dodecyl ester
- Formula: C16H32O2
- Molecular weight: 256.4241
- IUPAC Standard InChI: InChI=1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h3-15H2,1-2H3
- IUPAC Standard InChIKey: JEPXJYKYHMEESP-UHFFFAOYSA-N
- CAS Registry Number: 3724-61-6
- 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: 1-Dodecanol, butanoate; Butanoic acid, dodecyl ester; Dodecyl butyrate; dodecyl butanoate
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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 | V.G.Zaikin, Petrochem. Synth. Inst., Moscow |
| NIST MS number | 280436 |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 140. | 1763. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 160. | 1765. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 180. | 1767. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 200. | 1768. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 220. | 1761. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | OV-101 | 200. | 1771. | Komárek, Hornová, et al., 1983 | Column length: 15. m; Column diameter: 0.22 mm |
| Packed | SE-30 | 180. | 1768. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 180. | 2023. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1773. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
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 chromatography of homologous esters. XXVIII. Retention increments of aliphatic C1-C18 n-alkyl esters of butanoic acid and its monochloro derivatives on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 320, 2, 325-334, https://doi.org/10.1016/S0021-9673(01)90510-2
. [all data]
Komárek, Hornová, et al., 1983
Komárek, K.; Hornová, L.; Horna, A.; Churácek, J.,
Glass capillary gas chromatography of homologous series of esters. III. Separation of alkyl halogenopropionates and halogenobutyrates on OV-101,
J. Chromatogr., 1983, 262, 316-320, https://doi.org/10.1016/S0021-9673(01)88112-7
. [all data]
Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G.,
Identification of hydroxylic compounds and their derivatives by gas chromatography,
Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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