Diethyl Phthalate
- Formula: C12H14O4
- Molecular weight: 222.2372
- IUPAC Standard InChI: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
- IUPAC Standard InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N
- CAS Registry Number: 84-66-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,2-Benzenedicarboxylic acid, diethyl ester; Phthalic acid, diethyl ester; o-Benzenedicarboxylic acid, diethyl ester; Anozol; Ethyl phthalate; Neantine; Palatinol A; Phthalol; Placidol E; Solvanol; Unimoll DA; Diethyl-1,2-benzenedicarboxylate; Diethyl-o-phthalate; Diethylester kyseliny ftalove; Estol 1550; NCI-C60048; Phthalsaeurediaethylester; Rcra waste number U088; Diethyl ester of 1,2-Benzenedicarboxylic acid; DEP; Kodaflex DEP; 1,2-diethyl phthalate; 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester; NSC 8905; o-Bis(ethoxycarbonyl)benzene
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | VF-5MS | DB-5 | HP-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 40. | 60. | 30. | 35. |
| Tend (C) | 300. | 250. | 280. | 260. | 230. |
| Heat rate (K/min) | 3. | 7. | 5. | 2. | 2. |
| Initial hold (min) | 5. | 0.5 | 2. | 4. | |
| Final hold (min) | 15. | 2. | 28. | 25. | |
| I | 1594. | 1559. | 1546. | 1602.3 | 1545. |
| Reference | Kotowska, Zalikowski, et al., 2012 | Ghiasvand, Setkova, et al., 2007 | Ozel, Gogus, et al., 2006 | Leffingwell and Alford, 2005 | Park, Lee, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | SE-30 | SE-30 |
| Column length (m) | 60. | 60. | 60. | 2. | 2. |
| Carrier gas | He | He | He | Nitrogen | Nitrogen |
| Substrate | Chromosorb Q (60-80 mesh) | Chromosorb Q (60-80 mesh) | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 35. | 35. | 35. | 100. | 100. |
| Tend (C) | 230. | 230. | 230. | 290. | 290. |
| Heat rate (K/min) | 2. | 2. | 2. | 8. | 8. |
| Initial hold (min) | 4. | 4. | 4. | ||
| Final hold (min) | 25. | 25. | 25. | ||
| I | 1546. | 1547. | 1550. | 1578. | 1578. |
| Reference | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Lourici, Souici, et al., 1999 | Lourici, Souici, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed | Packed | Packed | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 2. | 2. | 2. | 2. | 2. |
| Carrier gas | Nitrogen | Nitrogen | Nitrogen | Nitrogen | Nitrogen |
| Substrate | Chromosorb Q (60-80 mesh) | Chromosorb Q (60-80 mesh) | Chromosorb Q (60-80 mesh) | Chromosorb Q (60-80 mesh) | Chromosorb Q (60-80 mesh) |
| Column diameter (mm) | |||||
| Phase thickness (μm) | |||||
| Tstart (C) | 100. | 100. | 100. | 100. | 100. |
| Tend (C) | 290. | 290. | 290. | 290. | 290. |
| Heat rate (K/min) | 8. | 8. | 8. | 8. | 8. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1578. | 1578. | 1578. | 1579. | 1582. |
| Reference | Lourici, Souici, et al., 1999 | Lourici, Souici, et al., 1999 | Lourici, Souici, et al., 1999 | Lourici, Souici, et al., 1999 | Lourici, Souici, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 MS | Ultra-1 | DB-1 | DB-1 | SE-54 |
| Column length (m) | 30. | 25. | 60. | 60. | 25. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 80. | 50. | 50. | 50. |
| Tend (C) | 250. | 260. | 240. | 240. | 250. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 8. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 12. | ||||
| I | 1585. | 1541. | 1556. | 1563. | 1597. |
| Reference | Gomez and Ledbetter, 1994 | Okumura, 1991 | Shiota, 1991 | Shiota, 1991 | Harland, Cumming, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | DB-1 | SE-30 |
| Column length (m) | 50. | 60. | 50. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.5 |
| Phase thickness (μm) | |||
| Tstart (C) | 50. | 50. | 40. |
| Tend (C) | 250. | 250. | 170. |
| Heat rate (K/min) | 3. | 4. | 3. |
| Initial hold (min) | 0.1 | 3. | |
| Final hold (min) | 5. | ||
| I | 1551. | 1547. | 1559. |
| Reference | Habu, Flath, et al., 1985 | Flath, Mon, et al., 1983 | Heydanek and McGorrin, 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [all data]
Ghiasvand, Setkova, et al., 2007
Ghiasvand, A.R.; Setkova, L.; Pawliszyn, J.,
Determination of flavour profile in Iranian fragrant rice samples using cold-fibre SPME-GC-TOF-MS,
Flavour Fragr. J., 2007, 22, 5, 377-391, https://doi.org/10.1002/ffj.1809
. [all data]
Ozel, Gogus, et al., 2006
Ozel, M.Z.; Gogus, F.; Lewis, A.C.,
Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS,
Anal. Chim. Acta., 2006, 566, 2, 172-177, https://doi.org/10.1016/j.aca.2006.03.014
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R.,
Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC),
Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345
. [all data]
Lourici, Souici, et al., 1999
Lourici, L.; Souici, M.-L.; Rebbani, N.; Messadi, D.,
Independent of local properties mathematical models for the calculation of retention indices in programmed temperature gas chromatography,
Analusis, 1999, 27, 3, 249-254, https://doi.org/10.1051/analusis:1999114
. [all data]
Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A.,
Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L.,
J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116
. [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]
Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019
. [all data]
Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E.,
The Kovats indexes of some organic micropollutants on an SE54 capillary column,
EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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