Dibutyl phthalate
- Formula: C16H22O4
- Molecular weight: 278.3435
- IUPAC Standard InChI: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
- IUPAC Standard InChIKey: DOIRQSBPFJWKBE-UHFFFAOYSA-N
- CAS Registry Number: 84-74-2
- 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: 1,2-Benzenedicarboxylic acid, dibutyl ester; Phthalic acid, dibutyl ester; n-Butyl phthalate; Butyl phthalate; Celluflex DPB; Elaol; Genoplast B; Hexaplas M/B; Palatinol C; Polycizer DBP; PX 104; Staflex DBP; Unimoll DB; Witcizer 300; Benzene-o-dicarboxylic acid, di-n-butyl ester; o-Benzenedicarboxylic acid, dibutyl ester; Dibutyl-1,2-benzenedicarboxylate; di-n-Butyl phthalate; Phthalic acid di-n-butyl ester; Dibutyl o-phthalate; DBP; RCRA waste number U069; Dibutyl ester of 1,2-benzenedicarboxylic acid; Kodaflex DBP; Morflex 240; Palatinol DBP; Uniplex 150; Dibutyl phthalated; 1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester; DBP (ester); Ergoplast FDB; NSC 6370
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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 | TR-5 MS | HP-5 MS | OV-1 | DB-5 |
| Column length (m) | 15. | 15. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 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 min) 15 0C/min -> 240 0C (10 min) | 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 | 40 0C 2 0C/min -> 120 0C 10 0C/min -> 230 0C (15 min) | not specified |
| I | 1961. | 1970. | 1954. | 1906. | 1922. |
| Reference | Kurashov, Mitrukova, et al., 2014 | Kurashov, Krylova, et al., 2013 | Kotowska, Zalikowski, et al., 2012 | Chen and Li, 2011 | Yusuf and Bewaji, 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | BPX-5 | Squalane | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | 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 (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) | 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 | 1980. | 1970. | 1940. | 1973. | 1959. |
| Reference | se Souza, Cardeal, et al., 2009 | se Souza, Cardeal, et al., 2009 | 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 | Other |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5MS | SF-96 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | Methyl Silicone |
| Column length (m) | 30. | 30. | 40. | 50. | |
| Carrier gas | Helium | He | Hydrogen | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.28 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | 40 0C (3 min) 6 0C/min -> 150 0C (1 min) 10 0C/min -> 250 0C (10 min) | 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) | 75C => 3C/min => 190C(25min) => 3C/min => 210C | not specified | not specified |
| I | 1970. | 1969. | 1925. | 1938. | 1940. |
| Reference | Xian, Chen, et al., 2006 | Alissandrakis, Kibaris, et al., 2005 | Kawasaki, Matsui, et al., 1998 | Waggott and Davies, 1984 | Ardrey and Moffat, 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Other | Other |
|---|---|---|
| Active phase | Methyl Silicone | Methyl Silicone |
| Column length (m) | ||
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | ||
| Phase thickness (μm) | ||
| Program | not specified | not specified |
| I | 1950. | 1930. |
| Reference | Ardrey and Moffat, 1981 | 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, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
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]
Chen and Li, 2011
Chen, S.; Li, X.,
Analysis of common volatile constituents between herbal pair Ephedra Sinica Stapf-Zingiber offoconale Rosc. and its single herb by GC-MS combined with AMWFA method, 2011, retrieved from http://www.webmedcentral.com. [all data]
Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O.,
GC-MS of volatile components of fermented wheat germ extract,
J. Cereals Oilseeds, 2011, 2, 3, 38-42. [all data]
se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J.,
Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways,
J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061
. [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]
Xian, Chen, et al., 2006
Xian, Q.-M.; Chen, H.-D.; Zou, H.-H.,
Allelopathic activity of volatile substance from submerged macrophytes on Microcystin aeruginosa,
Acta Ecologica Sinica, 2006, 26, 11, 3549-3554, https://doi.org/10.1016/S1872-2032(06)60054-1
. [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]
Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T.,
Long-chain aldehyde-forming activity in tobacco leaves,
Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2
. [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]
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
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