Diisooctyl phthalate

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Systematic / IUPAC Name: Bis(6-methylheptyl)benzene-1,2-dicarboxylate

ID: Reference2656

Other Names: DIOP ;
Hexaplas M/O;
1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester;
1,2-Benzenedicarboxylic acid, diisooctyl ester;
Bis(6-methylheptyl) phthalate ; more

Formula: C24H38O4

Class: Extractables/Leachables Textile Chemicals/Auxiliary/Dyes Industrial Chemicals

Spectral Data

Diisooctyl 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 ; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 651
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 4/2/2019 10:55:45 AM
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Identificators

InChI InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
InChI Key IJFPVINAQGWBRJ-UHFFFAOYSA-N
Canonical SMILES CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
CAS 27554263
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Other Names DIOP ;
Hexaplas M/O;
1,2-Benzenedicarboxylic acid, bis(6-methylheptyl) ester;
1,2-Benzenedicarboxylic acid, diisooctyl ester;
Bis(6-methylheptyl) phthalate;
Diisooctyl 1,2-benzenedicarboxylate;
Isooctyl phthalate;
Phthalic acid, bis(6-methylheptyl)ester;
Phthalic acid, diisooctyl ester

In Other Databases

KEGG C14577
ChemSpider 31280
ChEMBL CHEMBL3186540
ChemIDPlus 027554263; 071097284
PubChem 33934