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CHEBI:132612 - monobenzyl phthalate
| Formula | C15H12O4 |
| Net Charge | 0 |
| Average Mass | 256.257 |
| Monoisotopic Mass | 256.07356 |
| SMILES | O=C(O)c1ccccc1C(=O)OCc1ccccc1 |
| InChI | InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17) |
| InChIKey | XIKIUQUXDNHBFR-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity. xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. |
| Applications: | xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity. endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| monobenzyl phthalate (CHEBI:132612) has functional parent benzyl alcohol (CHEBI:17987) |
| monobenzyl phthalate (CHEBI:132612) has role xenobiotic metabolite (CHEBI:76206) |
| monobenzyl phthalate (CHEBI:132612) has role xenoestrogen (CHEBI:76988) |
| monobenzyl phthalate (CHEBI:132612) is a phthalic acid monoester (CHEBI:132610) |
| IUPAC Name |
|---|
| 2-[(benzyloxy)carbonyl]benzoic acid |
| Synonyms | Source |
|---|---|
| benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester | NIST Chemistry WebBook |
| 1,2-benzenedicarboxylic acid, mono(phenylmethyl) ester | NIST Chemistry WebBook |
| mono-benzyl phthalate | ChemIDplus |
| benzyl hydrogen phthalate | NIST Chemistry WebBook |
| mono(phenylmethyl) 1,2-benzenedicarboxylate | ChemIDplus |
| benzene-1,2-dicarboxylic acid, monobenzyl ester | NIST Chemistry WebBook |
| Citations |
|---|