Dihexyl phthalate

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

ID: Reference35

Other Names: Di-n-Hexyl phthalate;
n-Dihexyl phthalate;
Dihexyl 1,2-benzenedicarboxylate;
Bis(n-hexyl) phthalate;
1,2-Benzenedioic acid dihexyl ester ; more

Formula: C20H30O4

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

Spectral Data

Dihexyl 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; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 837
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 4/2/2019 7:06:07 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3
InChI Key KCXZNSGUUQJJTR-UHFFFAOYSA-N
Canonical SMILES CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
CAS 84753
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Other Names Di-n-Hexyl phthalate;
n-Dihexyl phthalate;
Dihexyl 1,2-benzenedicarboxylate;
Bis(n-hexyl) phthalate;
1,2-Benzenedioic acid dihexyl ester;
Phthalic acid dihexyl ester;
Phthalic acid di-n-hexyl ester

In Other Databases

WebBook 3128438835
ChemIDPlus 000084753; 068610822
ChemSpider 6528
KEGG C14504
PubChem 6786