Dibutyl hexanedioate

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Systematic / IUPAC Name: Dibutyl adipate

ID: Reference2822

Other Names: Adimoll DB;
Cetiol B;
Experimental tick repellent 3;
Polycizer W 260;
Unitolate B ; more

Formula: C14H26O4

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

Spectral Data

Dibutyl hexanedioate 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/29/2018 10:05:28 AM
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Identificators

InChI InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
InChI Key XTJFFFGAUHQWII-UHFFFAOYSA-N
Canonical SMILES CCCCOC(=O)CCCCC(=O)OCCCC
CAS 105997
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Other Names Adimoll DB;
Cetiol B;
Experimental tick repellent 3;
Polycizer W 260;
Unitolate B;
1,4-Butanedicarboxylic acid, di-n-butylester;
1,6-Dibutyl hexanedioate;
Adipic acid di-n-butyl ester;
Adipic acid dibutyl ester;
Butyl adipate;
di-n-Butyl adipate;
Dibutyl adipinate;
Dibutyl hexane-1,6-dioate;
Hexanedioic acid, 1,6-dibutyl ester;
Hexanedioic acid, dibutyl ester

In Other Databases

ChEMBL CHEMBL3188143
PubChem 7784
ChemIDPlus 000105997
ChemSpider 7496
KEGG C14253