Mono(2-ethylhexyl) phthalate (MEHP)

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Systematic / IUPAC Name: 2-(2-Ethylhexoxycarbonyl)benzoic acid

ID: Reference2914

Other Names: (2-Ethylhexyl) hydrogen phthalate;
1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester;
2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid ;
2-(2-Ethylhexyloxycarbonyl)benzoic acid;
2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid ; more

Formula: C16H22O4

Class: Extractables/Leachables Endogenous Metabolites

Spectral Data

Mono(2-ethylhexyl) phthalate (MEHP) 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 2
No. of Spectra 196
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/15/2015 8:12:27 AM
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Identificators

InChI InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
InChI Key DJDSLBVSSOQSLW-UHFFFAOYSA-N
Canonical SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
CAS 4376209
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Other Names (2-Ethylhexyl) hydrogen phthalate;
1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester;
2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid ;
2-(2-Ethylhexyloxycarbonyl)benzoic acid;
2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid;
2-Ethylhexyl hydrogen phthalate;
Mono-2-ethylhexyl phthalate;
Monoethylhexyl phthalate;
Phthalate, mono(2-ethylhexyl);
Phthalic acid mono-2-ethylhexyl ester;
Phthalic acid, 2-ethylhexyl ester;
Phthalic acid, mono-2-ethylhexyl ester

In Other Databases

ChemIDPlus 004376209; 025425734
ChemSpider 19208
KEGG C03343
ChEBI CHEBI:17243
PubChem 20393