2,2,4-Trimethyl-1,3-pentadienol diisobutyrate

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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

Spectral Data

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.

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Available MS Data

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
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Identificators

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

In Other Databases

Wikipedia 2,2,4-Trimethyl-1,3-pentandiolmonoisobutyrat (DE)
ChEMBL CHEMBL3183335
PubChem 23284
HMDb HMDB59777
ChemSpider 21775
ChemIDPlus 006846500; 6846500
ChEBI CHEBI:89871