Diisoheptyl phthalate

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Systematic / IUPAC Name: Bis(5-methylhexyl) benzene-1,2-dicarboxylate

ID: Reference8769

Other Names: 1,2-Benzenedicarboxylic acid, diisoheptyl ester;
Bis(5-methylhexyl) benzene-1,2-dicarboxylate;
Bis(5-methylhexyl) phthalate;
Di-(5-Methylhexyl)phthalate;
Phthalic acid, bis-5-methylhexyl ester

Formula: C22H34O4

Class: Extractables/Leachables Industrial Chemicals

Spectral Data

Diisoheptyl phthalate 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 with FAIMS
No. of Spectral Trees 1
No. of Spectra 1036
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2019 10:49:15 AM
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Identificators

InChI InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3
InChI Key RKELNIPLHQEBJO-UHFFFAOYSA-N
Canonical SMILES CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C
CAS 71888897
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Other Names 1,2-Benzenedicarboxylic acid, diisoheptyl ester;
Bis(5-methylhexyl) benzene-1,2-dicarboxylate;
Bis(5-methylhexyl) phthalate;
Di-(5-Methylhexyl)phthalate;
Phthalic acid, bis-5-methylhexyl ester

In Other Databases

Wikipedia Diisoheptyl_phthalate
ChEMBL CHEMBL1893293
ChemSpider 513939
ChemIDPlus 041451289
PubChem 591200