Phthalic acid

Phthalic acid
Compound Structure:
Synonyms: phthalic acid;88-99-3;1,2-benzenedicarboxylic acid;o-phthalic acid;benzene-1,2-dicarboxylic acid;o-dicarboxybenzene;o-benzenedicarboxylic acid;Pathalic acid;Acide phtalique;Kyselina ftalova;ortho-phthalic acid;Sunftal 20
Compound ID: NMPC-219
PubChem ID:

1017
Molecular Formula: C8H6O4
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)C(=O)O
InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N
About the compound:

Phthalic acid is an aromatic dicarboxylic acid with the molecular formula C6H4(CO2H)2. It forms white crystals or a fine white powder. While phthalic acid itself is not of significant commercial importance, its derivative, phthalic anhydride, is produced on a large scale for various industrial applications. Phthalic acid is one of the three isomers of benzenedicarboxylic acid, with the others being isophthalic acid and terephthalic acid. It is also considered a human xenobiotic metabolite, meaning it is produced as a result of the body's metabolism of certain foreign substances.

GHS Hazard Statements

• H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (94.96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

166.13 g/mol

XLogP3

0.7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

2

Exact Mass

166.02660867 g/mol

Monoisotopic Mass

166.02660867 g/mol

Topological Polar Surface Area

74.6Ų

Heavy Atom Count

12

Formal Charge

0

Complexity

177

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Phthalic acid appears as white crystals or fine white powder. (NTP, 1992)

Boiling Point

Decomposes (NTP, 1992)

Melting Point

410 to 412 °F (decomposes) (NTP, 1992)

Density

1.593 at 68 °F (NTP, 1992)

Solubility 

less than 1 mg/mL at 68 °F (NTP, 1992)

Vapor Pressure

0.00000064 [mmHg]

Source: PubChem
Source Species: Curculigo pilosa
Euphorbia hirta
Laggera aurita
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