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, 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 | HP-101 | HP-5 MS | HP-5 | HP-5 |
| Column length (m) | 30. | 25. | 30. | 30. | 60. |
| Carrier gas | Helium | Helium | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Tstart (C) | 35. | 70. | 50. | 60. | 30. |
| Tend (C) | 300. | 200. | 240. | 250. | 260. |
| Heat rate (K/min) | 3. | 3. | 3. | 5. | 2. |
| Initial hold (min) | 5. | 2. | 30. | 2. | |
| Final hold (min) | 15. | 28. | |||
| I | 1960. | 1957. | 1957. | 1907. | 1972.2 |
| Reference | Kotowska, Zalikowski, et al., 2012 | Blazevic and Mastelic, 2008 | Sarikurkcu, Tepe, et al., 2008 | Yassa and Akhani, 2007 | Leffingwell and Alford, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Packed | Packed | Packed | Packed |
|---|---|---|---|---|---|
| Active phase | HP-5 | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 25. | 2. | 2. | 2. | 2. |
| Carrier gas | H2 | 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) | |
| Column diameter (mm) | 0.32 | ||||
| Phase thickness (μm) | 0.53 | ||||
| Tstart (C) | 40. | 100. | 100. | 100. | 100. |
| Tend (C) | 280. | 290. | 290. | 290. | 290. |
| Heat rate (K/min) | 4. | 8. | 8. | 8. | 8. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1959. | 1936. | 1936. | 1937. | 1937. |
| Reference | Velickovic, Randjelovic, et al., 2003 | 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 | Packed | Packed | Packed | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 | DB-1 | DB-1 |
| Column length (m) | 2. | 2. | 2. | 30. | 30. |
| Carrier gas | Nitrogen | Nitrogen | Nitrogen | He | He |
| Substrate | Chromosorb Q (60-80 mesh) | Chromosorb Q (60-80 mesh) | Chromosorb Q (60-80 mesh) | ||
| Column diameter (mm) | 0.25 | 0.25 | |||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 100. | 100. | 100. | 50. | 50. |
| Tend (C) | 290. | 290. | 290. | 240. | 240. |
| Heat rate (K/min) | 8. | 8. | 8. | 5. | 5. |
| Initial hold (min) | 3. | 3. | |||
| Final hold (min) | |||||
| I | 1937. | 1938. | 1947. | 1912. | 1923. |
| Reference | Lourici, Souici, et al., 1999 | Lourici, Souici, et al., 1999 | Lourici, Souici, et al., 1999 | Shiota, 1993 | Shiota, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Ultra-1 | Ultra-1 | DB-1 | DB-1 | OV-101 |
| Column length (m) | 25. | 25. | 60. | 60. | 54. |
| Carrier gas | He | He | He | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 80. | 80. | 50. | 50. | 50. |
| Tend (C) | 260. | 260. | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 5. |
| Initial hold (min) | 0. | ||||
| Final hold (min) | 0. | ||||
| I | 1903. | 1909. | 1920. | 1923. | 1917. |
| Reference | Okumura, 1991 | Okumura, 1991 | Shiota, 1991 | Shiota, 1991 | Zenkevich and Ventura, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | SE-54 | DB-1 |
| Column length (m) | 25. | 60. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 50. |
| Tend (C) | 250. | 250. |
| Heat rate (K/min) | 8. | 4. |
| Initial hold (min) | 2. | 0.1 |
| Final hold (min) | 12. | 5. |
| I | 1966. | 1914. |
| Reference | Harland, Cumming, et al., 1986 | Flath, Mon, et al., 1983 |
| Comment | 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]
Blazevic and Mastelic, 2008
Blazevic, I.; Mastelic, J.,
Free and bounded volatiles of rocket (Eruca sativa Mill.),
Fravour Fragr. J., 2008, 23, 4, 278-285, https://doi.org/10.1002/ffj.1883
. [all data]
Sarikurkcu, Tepe, et al., 2008
Sarikurkcu, C.; Tepe, B.; Daferera, D.; Polissiou, M.; Harmandar, M.,
Studies on the anioxidant activity of the essential oil and methanol extract of Marrubium globosum subsp. globosum (lamiaceae) by three different chemical assays,
Bioresource Technol., 2008, 99, 10, 4239-4246, https://doi.org/10.1016/j.biortech.2007.08.058
. [all data]
Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [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]
Velickovic, Randjelovic, et al., 2003
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Velickovic, A.S.; Smelcerovic, A.A.,
Chemical constituents and antimicrobial activity of the ethanol extracts obtained from the flower, leaf, and stem of Salvia officinalis L.,
J. Serb. Chem. Soc., 2003, 68, 1, 17-24, https://doi.org/10.2298/JSC0301017V
. [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]
Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046
. [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]
Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K.,
Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen,
Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [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]
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]
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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