Systematic / IUPAC Name: 2,2,4-Trimethyl-1,3-pentanediyl bis(2-methylpropanoate)
ID: Reference7893
Other Names:
1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate;
1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate;
2,2,4-Trimethyl-1,3,-pentanedioldiisobutyrate;
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate;
2,2,4-Trimethyl-1,3-pentanediol ester
; more
Formula: C16H30O4
Class: Extractables/Leachables
2,2,4-Trimethyl-1,3-pentadienol diisobutyrate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 304 |
Tandem Spectra | MS1, MS2, MS3 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 5/9/2018 8:22:01 AM |
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 |
InChI Key | OMVSWZDEEGIJJI-UHFFFAOYSA-N |
Canonical SMILES | CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C |
CAS | 6846500 |
Splash | |
Other Names |
1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate; 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate; 2,2,4-Trimethyl-1,3,-pentanedioldiisobutyrate; 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate; 2,2,4-Trimethyl-1,3-pentanediol ester; 2,2,4-Trimethylpentane-1,3-diol diisobutyrate; 2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate); 2,2,4-Trimethylpentanediol-1,3-diisobutyrate; Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester; Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester; Trimethyl pentanyl diisobutyrate; Trimethyl-1,3-pentanediol diisobutyrate |
Wikipedia | 2,2,4-Trimethyl-1,3-pentandiolmonoisobutyrat (DE) |
ChEMBL | CHEMBL3183335 |
PubChem | 23284 |
HMDb | HMDB59777 |
ChemSpider | 21775 |
ChemIDPlus | 006846500; 6846500 |
ChEBI | CHEBI:89871 |