Phthalic acid

Product Information

Molecular Formula:
C8H6O4
Molecular Weight:
166.13
Description
Phthalic acid (CAS# 88-99-3) is a useful research chemical.
Synonyms
phthalic acid
IUPAC Name
phthalic acid
Canonical SMILES
C1=CC=C(C(=C1)C(=O)O)C(=O)O
InChI
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
Boiling Point
378.274 ℃ at 760 mmHg
Melting Point
200-205 ℃
Flash Point
168 °C
Purity
95 %
Density
1.451 g/cm3
Solubility
less than 1 mg/mL at 68° F (NTP, 1992);0.04 M;Soluble in alcohol; sparingly soluble in ether;1 g dissolves in 160 ml water, 10 ml alc, 205 ml ether, 5.3 ml methanol; practically insol in chloroform;In water, 6,965 mg/L at 25 °C;7.01 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 0.625 (poor)
Appearance
White crystals
Application
Used as an analytical and laboratory reagent and to make medicines, dyes, phenolphthalein, phthalimide, anthranilic acid, and synthetic perfumes.
Storage
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index
1.5100 (estimate)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
LogP
1.08300
Vapor Pressure
6.36e-07 mmHg;6.36X10-7 mm Hg at 25 °C
Henry's Law Constant
2.1X10-11 atm-cu m/mole at 25 °C (est)
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes
Dissociation Constants
2.76 (at 25 °C)

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

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

Patents

Publication Number Title Priority Date
WO-2021117911-A1 Vermicompost production method 2021-01-29
US-10934384-B1 Polyurethane elastomer compositions, and processes thereof 2020-09-09
US-10934385-B1 Polyurethane elastomers, bio-additive foam compositions 2020-09-09
US-10988479-B1 Morphic forms of trilaciclib and methods of manufacture thereof 2020-06-15
US-10980756-B1 Methods of treatment 2020-03-16
EP-3650494-A2 Matte film comprising heterophasic propylene copolymer composition 2020-02-14
EP-3650495-A2 Film comprising heterophasic propylene copolymer composition 2020-02-14
US-10767004-B1 Tricyclodecane dimethanol composition and uses thereof 2020-01-13
US-11008288-B1 Methods for preparation of apremilast 2019-12-30
US-2020270280-A1 Organic compound, an electron transport material and an application thereof 2019-12-27

Literatures

PMID Publication Date Title Journal
36198370 2022-12-01 In utero di-(2-ethylhexyl) phthalate-induced testicular dysgenesis syndrome in male newborn rats is rescued by taxifolin through reducing oxidative stress Toxicology and applied pharmacology
35917956 2022-10-01 Lycopene alleviates di(2-ethylhexyl) phthalate-induced splenic injury by activating P62-Keap1-NRF2 signaling Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
35861430 2022-09-24 Gestational and Lactational Exposure to the Emergent Alternative Plasticizer 1,2-Cyclohexane Dicarboxylic Acid Diisononyl Ester (DINCH) Impairs Lipid Metabolism to a Greater Extent Than the Commonly Used Di(2-Ethylhexyl) Phthalate (DEHP) in the Adult Rat Mammary Gland Toxicological sciences : an official journal of the Society of Toxicology
35762964 2022-08-25 Multigenerational Effects of an Environmentally Relevant Phthalate Mixture on Reproductive Parameters and Ovarian miRNA Expression in Female Rats Toxicological sciences : an official journal of the Society of Toxicology
35487445 2022-08-01 The selected epigenetic effects of phthalates: DBP, BBP and their metabolites: MBP, MBzP on human peripheral blood mononuclear cells (In Vitro) Toxicology in vitro : an international journal published in association with BIBRA
35421560 2022-06-01 Phthalate monoesters act through peroxisome proliferator-activated receptors in the mouse ovary Reproductive toxicology (Elmsford, N.Y.)
35460826 2022-06-01 The crucial role of thioredoxin interacting protein in the liver insulin resistance induced by di (2-ethylhexyl) phthalates Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
35500696 2022-06-01 Apigenin ameliorates di(2-ethylhexyl) phthalate-induced ferroptosis: The activation of glutathione peroxidase 4 and suppression of iron intake Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
35659966 2022-05-30 Di-(2-ethyl hexyl) phthalate induced oxidative stress promotes microplastics mediated apoptosis and necroptosis in mice skeletal muscle by inhibiting PI3K/AKT/mTOR pathway Toxicology
35354077 2022-05-01 Maternal exposure to bis(2-ethylhexyl) phthalate during the thyroid hormone-dependent stage induces persistent emotional and cognitive impairment in middle-aged offspring mice Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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