Diisopropyl adipate
- Formula: C12H22O4
- Molecular weight: 230.3007
- IUPAC Standard InChI: InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
- IUPAC Standard InChIKey: ZDQWESQEGGJUCH-UHFFFAOYSA-N
- CAS Registry Number: 6938-94-9
- 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: Hexanedioic acid, bis(1-methylethyl) ester; Adipic acid, diisopropyl ester; Ceraphyl 230; Isopropyl adipate; Standamul DIPA; Wickenol 116; β dia; Crodamol DA; iso-Adipate 2/043700; Prodipate; Schercemol DIA; Tegester 504-D; Beta dia; Unimate DIPA; Hexanedioic acid, 1,6-bis(1-methylethyl) ester; NSC 56587; Diisopropyl hexanedioate
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1464. | Guisto, Smith, et al., 1993 | 30. m/0.25 mm/0.5 μm, 50. C @ 1. min, 8. K/min, 300. C @ 10. min |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 120. | 1430. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 130. | 1429. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 140. | 1427. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 150. | 1424. | Lipp, Krasnykh, et al., 2008 | Helium; Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1425. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
| Capillary | Ultra-1 | 1427. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1425. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 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) |
| Capillary | HP-5 | 1464. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guisto, Smith, et al., 1993
Guisto, R.; Smith, S.R.; Stuart, J.D.,
Gas chromatographic retention indices, mass, and infrared spectra of industrially important adipate esters,
J. Chromatogr. Sci., 1993, 31, 6, 225-230, https://doi.org/10.1093/chromsci/31.6.225
. [all data]
Lipp, Krasnykh, et al., 2008
Lipp, S.V.; Krasnykh, E.L.; Levanova, S.V.,
Retention indices of symmetrical dicarboxylic acid esters,
Rus. J. Anal. Chem., 2008, 63, 4, 349-352, https://doi.org/10.1134/S1061934808040072
. [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]
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]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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