Bis(7-methyloctyl) adipate

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Systematic / IUPAC Name: Bis(7-methyloctyl) hexanedioate

ID: Reference3197

Other Names: Adipic acid, diisononyl ester;
Diisononyl adipate;
Diisononyl hexanedioate;
Hexanedioic acid, diisononyl ester

Formula: C24H46O4

Class: Industrial Chemicals Extractables/Leachables Textile Chemicals/Auxiliary/Dyes Personal Care Products/Cosmetics

Spectral Data

Bis(7-methyloctyl) adipate 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/28/2015 12:19:58 PM
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Identificators

InChI InChI=1S/C24H46O4/c1-21(2)15-9-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-6-10-16-22(3)4/h21-22H,5-20H2,1-4H3
InChI Key AYWLCKHHUFBVGJ-UHFFFAOYSA-N
Canonical SMILES CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
CAS 33703081
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Other Names Adipic acid, diisononyl ester;
Diisononyl adipate;
Diisononyl hexanedioate;
Hexanedioic acid, diisononyl ester

In Other Databases

ChemSpider 4932515
PubChem 6427097
ChemIDPlus 033703081
ChEMBL CHEMBL3188864