n-Pentyl isopentyl phthalate

enlarge

Systematic / IUPAC Name: 2-O-(3-Methylbutyl) 1-O-pentyl benzene-1,2-dicarboxylate

ID: Reference8767

Other Names: Isopentyl pentyl phthalate;
3-Methylbutyl pentyl phthalate;
Phthalic acid, 3-methylbutyl pentyl ester;
Phthalic acid, n-pentyl-isopentyl ester;
nPIPP

Formula: C18H26O4

Class: Extractables/Leachables Textile Chemicals/Auxiliary/Dyes

Spectral Data

n-Pentyl isopentyl phthalate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 864
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2019 7:44:00 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3
InChI Key MCXWUHMDAJQKBI-UHFFFAOYSA-N
Canonical SMILES CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C
CAS 776297699
Splash
Other Names Isopentyl pentyl phthalate;
3-Methylbutyl pentyl phthalate;
Phthalic acid, 3-methylbutyl pentyl ester;
Phthalic acid, n-pentyl-isopentyl ester;
nPIPP

In Other Databases

ChemSpider 28605159
PubChem 71307505