Dioctyl phthalate

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Systematic / IUPAC Name: Dioctyl benzene-1,2-dicarboxylate

ID: Reference37

Other Names: n-Octyl phthalate;
Phthalic acid di-n-octyl ester;
Bis(n-octyl) phthalate;
Dioctyl 1,2-benzenedicarboxylate;
Dioctyl o-benzenedicarboxylate ; more

Formula: C24H38O4

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

Spectral Data

Dioctyl 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 2
No. of Spectra 488
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 4/2/2019 10:56:49 AM
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Identificators

InChI InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChI Key MQIUGAXCHLFZKX-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
CAS 117840
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Other Names n-Octyl phthalate;
Phthalic acid di-n-octyl ester;
Bis(n-octyl) phthalate;
Dioctyl 1,2-benzenedicarboxylate;
Dioctyl o-benzenedicarboxylate;
Benzenedicarboxylic acid di-n-octyl ester;
Benzene-1,2-dicarboxylic acid dioctyl ester;
Vinicizer 85;
DNOP

In Other Databases

KEGG C14227
ChemIDPlus 000117840
ChemSpider 8043
Wikipedia Dioctylphthalat
ChEMBL CHEMBL1409747
PubChem 8346
WebBook 5083061