2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
- Formula: C16H30O4
- Molecular weight: 286.4070
- IUPAC Standard InChI: InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
- IUPAC Standard InChIKey: OMVSWZDEEGIJJI-UHFFFAOYSA-N
- CAS Registry Number: 6846-50-0
- 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: Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester; 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate; Kodaflex txib; Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester; 2,2,4-Trimethylpentanediol-1,3-diisobutyrate; Txib; 2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate); 3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate; 1-isopropyl-2,2-dimethyltrimethylene diisobutyrate
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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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1587.5 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
| Capillary | DB-1 | 1591. | Mattinen, Tuominen, et al., 1995 | 30. m/0.32 mm/1. μm, He; Program: 40C(3min) => 5C/min => 150C => 10C/min => 210C(30min) |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Mattinen, Tuominen, et al., 1995
Mattinen, M.-L.; Tuominen, J.; Saarela, K.,
Analysis of TVOC and certain selected compounds from indoor air using GC/FID-RIM technique,
Indoor Air, 1995, 5, 1, 56-61, https://doi.org/10.1111/j.1600-0668.1995.t01-1-00009.x
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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