FComEx: Phthalic acid (PC000674)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:53 UTC

Update date

2017-01-19 02:36:32 UTC

FoodComEx ID

PC000674

FoodDB Record

FDB010566

Chemical Information

Name

Phthalic acid

Description

Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(COOH)2. Phthalic acid is used mainly in the form of the anhydride to produce other chemicals such as dyes, perfumes, saccharin, phthalates and many other useful products. Phthalic acid, when found in tissues or biofluids arises from exposure to these phthalate products. Phthalate is an environmental chemical of heightened public concern because reports of its potential risk to male reproductive health (PMID 16804814), being significantly associated with reduced sperm concentration to pesticide concentration in men's urine (PMID 16804812). Within the reproductive tract, the male is exquisitely vulnerable to the effects of anti-androgens during development due the reliance on the synthesis and action of androgens for the masculinization of the male reproductive tract. The ability of phthalates to suppress androgen synthesis during development and to induce testicular dysgenesis together with cryptorchidism and hypospadias has raised considerable concern. (PMID 15016950) [HMDB].

CAS Number

88-99-3

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
1,2-Benzenedicarboxylate	Generator
1,2-Benzenedicarboxylic acid	ChEBI
Alizarinate	HMDB
Alizarinic acid	db_source
M 2	HMDB
Naphthalinate	HMDB
Naphthalinic acid	HMDB
Naphthalinic acid?	db_source
O-Benzenedicarboxylate	Generator
O-Benzenedicarboxylic acid	ChEBI
O-Carboxybenzoate	HMDB
O-Carboxybenzoic acid	HMDB
O-Dicarboxybenzene	HMDB
ortho-Phthalate	Generator
ortho-Phthalic acid	ChEBI
Phthalate	Generator
Phthalic acid, 8CI	db_source
Phthalinate	HMDB
Phthalinic acid	db_source
Sunftal 20	HMDB

Chemical Formula

C8H6O4

IUPAC name

benzene-1,2-dicarboxylic acid

InChI Identifier

InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChI Key

XNGIFLGASWRNHJ-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)C1=CC=CC=C1C(O)=O

Average Molecular Weight

166.1308

Monoisotopic Molecular Weight

166.02660868

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Benzoic acids

Alternative Parents