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
Bis(7-methyloctyl) adipate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Splash | |
Other Names |
Adipic acid, diisononyl ester; Diisononyl adipate; Diisononyl hexanedioate; Hexanedioic acid, diisononyl ester |
ChemSpider | 4932515 |
PubChem | 6427097 |
ChemIDPlus | 033703081 |
ChEMBL | CHEMBL3188864 |