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, custom temperature program
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 | TR-5 MS | HP-5 MS | SLB-5 MS | SLB-5 MS | Siloxane, 5 % Ph |
| Column length (m) | 15. | 30. | 30. | 30. | |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min) | not specified | not specified | not specified | not specified |
| I | 1601. | 1591. | 1592. | 1594. | 1610. |
| Reference | Kurashov, Krylova, et al., 2013 | Kotowska, Zalikowski, et al., 2012 | Mondello, 2012 | Mondello, 2012 | VOC BinBase, 2012 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane, 5 % phenyl | Squalane | HP-5 | HP-5 | |
| Column length (m) | 30. | 30. | |||
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | |||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | not specified | not specified | not specified | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) | not specified |
| I | 1546. | 1610. | 1583. | 1595. | 1603. |
| Reference | Karimi, Farmany, et al., 2011 | Skogerson, Wohlgemuth, et al., 2011 | Chen, 2008 | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | VF-5MS | HP-5MS | DB-1 | SE-30 | OV-1 |
| Column length (m) | 30. | 30. | 30. | 50. | |
| Carrier gas | He | He | He | Hydrogen | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 40C(1min) => 15C/min => 100C => 4C/min => 250C (1min) | 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) | 45C => 3C/min => 175C => 15C/min => 300C (15min) | not specified | not specified |
| I | 1570. | 1597. | 1583. | 1565. | 1548. |
| Reference | Xie, Sun, et al., 2006 | Alissandrakis, Kibaris, et al., 2005 | Touafek, Nacer, et al., 2005 | Vinogradov, 2004 | Waggott and Davies, 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | SF-96 | SF-96 |
| Column length (m) | 50. | 50. | 50. | ||
| Carrier gas | Hydrogen | Hydrogen | Hydrogen | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
| Phase thickness (μm) | |||||
| Program | not specified | not specified | not specified | not specified | not specified |
| I | 1551. | 1559. | 1564. | 1560. | 1563. |
| Reference | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Fagan, Kepner, et al., 1982 | Fagan, Kepner, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Other |
|---|---|---|
| Active phase | SE-54 | Methyl Silicone |
| Column length (m) | 35. | |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | ||
| Program | not specified | not specified |
| I | 1604. | 1564. |
| Reference | Fagan, Kepner, et al., 1982 | Ardrey and Moffat, 1981 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kurashov, Krylova, et al., 2013
Kurashov, E.A.; Krylova, Yu.V.; Mitrukova, G.G.,
Variations in component composition of essential oil of Potamogeton pusillus (Potamogetonaceae) dirong vegetation,
Plant Resources (Rastitel'nye Resursy), 2013, 000-000. [all data]
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]
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Karimi, Farmany, et al., 2011
Karimi, H.; Farmany, A.; Noorizadeh, H.,
Prediction of linear retention index of Teucrium chamaedrys volatiles in GCxGC-TOF/MS by linear model,
World Appl. Sci. J., 2011, 15, 8, 1086-1088. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Xie, Sun, et al., 2006
Xie, J.; Sun, B.; Yu, M.,
Constituents of top fragrance from fresh flowers of Robinia Pseudoacacia L. occurring in China,
Flavour Fragr. J., 2006, 21, 5, 798-800, https://doi.org/10.1002/ffj.1720
. [all data]
Alissandrakis, Kibaris, et al., 2005
Alissandrakis, E.; Kibaris, A.C.; Tarantilis, P.A.; Harizanis, P.C.; Polissiou, M.,
Flavour compounds of Greek cotton honey,
J. Sci. Food Agric., 2005, 85, 9, 1444-1452, https://doi.org/10.1002/jsfa.2124
. [all data]
Touafek, Nacer, et al., 2005
Touafek, O.; Nacer, A.; Kabouche, A.; Kabouche, Z.,
Analysis of the Essential Oil of Algerian Hypericum perfoliatum (L),
Flavour Fragr. J., 2005, 20, 6, 669-670, https://doi.org/10.1002/ffj.1545
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Fagan, Kepner, et al., 1982
Fagan, G.L.; Kepner, R.E.; Webb, A.D.,
Additional volatile components of Palomino film sherry,
Am. J. Enol. Vitic, 1982, 33, 1, 47-50. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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