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Monomethyl phthalate

CAT: 0804-HY-Y1097-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1097-01Size:100 mg
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Description
Monomethyl phthalate is an orally active metabolite of phthalic acid. Monomethyl phthalate, as a urine biomarker after exposure to phthalate, can be used as a detection indicator for thyroid cancer and benign nodules. Monomethyl phthalate reduces the survival rate of young frogs. Monomethyl phthalate induces oxidative damage to red blood cells in rats[1][2][3].
CAS Number
4376-18-5
Product Name Alternative
2- (Methoxycarbonyl) benzoic acid
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; Reactive Oxygen Species (ROS)
Type
Natural Products
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/monomethyl-phthalate.html
Purity
99.45
Solubility
DMSO : ≥ 100 mg/mL
Smiles
O=C(C1=CC=CC=C1C(O)=O)OC
Molecular Formula
C9H8O4
Molecular Weight
180.16
Precautions
H302, H315, H319, H335
References & Citations
[1]Chong Liu, et al. Urinary biomarkers of phthalates exposure and risks of thyroid cancer and benign nodule. J Hazard Mater. 2020 Feb 5;383:121189.|[2]Mathieu-Denoncourt J, et al. Chronic exposures to monomethyl phthalate in Western clawed frogs. Gen Comp Endocrinol. 2015 Aug 1;219:53-63.|[3]Zhang X, et al. Metabolite Monomethyl Phthalate (MMP) Induces Oxidative Damage in Rat Erythrocytes: Role of Vitamins C and E. Toxics. 2025 May 7;13 (5) :379.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Monomethyl phthalate

Monomethyl phthalate is a phthalic acid monoester and a methyl ester.

CAS Number4376-18-5
PubChem CID20392
IUPAC Name2-methoxycarbonylbenzoic acid
Molecular FormulaC9H8O4
Molecular Weight180.16
XLogP1.1
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity212
SMILES
COC(=O)C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey
FNJSWIPFHMKRAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Monomethyl phthalate
CAS: 4376-18-5
CID: 20392
Formula: C9H8O4
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass180.04225873
Monoisotopic Mass180.04225873
Topological Polar Surface Area63.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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