Methyl hydrogen phthalate

• Catalog Number: ACM4376185-2
• Product Name: Methyl hydrogen phthalate
• CAS: 4376-18-5
• Category: Heterocyclic Organic Compound
• Synonyms: Mono-methyl phthalate
• IUPAC Name: 2-Methoxycarbonylbenzoic acid
• Molecular Weight: 180.16
• Molecular Formula: C9H8O4
• Canonical 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)
• InChI Key: FNJSWIPFHMKRAT-UHFFFAOYSA-N
• Boiling Point: 328.9±25.0 °C
• Melting Point: 82-84 °C
• Flash Point: 134.7ºC
• Density: 1.288±0.06 g/cm3
• Appearance: white to off-white crystalline powder
• Complexity: 212
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 224-476-6
• Exact Mass: 180.04225873
• Formal Charge: 0
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 180.04225873
• Physical State: White to off-white crystalline powder
• Rotatable Bond Count: 3
• Safety Description: S26-S36
• Topological Polar Surface Area: 63.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• WGK Germany: 3

Custom Reviews

July 19, 2023

A biomarker

Methyl hydrogen phthalate can be use as a biomarker of urine and as a detection index of benign nodules.

Custom Q&A

What are the relevant applications of methyl hydrogen phthalate?

Monomethyl phthalate as a urinary biomarker after exposure to phthalate as a test for thyroid cancer and benign nodules

What is the acidity factor of methyl hydrogen phthalate?

3.32±0.10

What is the density of ethyl hydrogen phthalate?

1.288±0.06 g/cm3

What is the EC number of ethyl hydrogen phthalate?

224-476-6

What is the hazard class code for methyl hydrogen phthalate?

36/37/38

What is the melting point of methyl hydrogen phthalate?

82-84 ℃

What is the molecular formula for ethyl hydrogen phthalate?

C9H8O4

What is the number of hydrogen bond receptors for ethyl hydrogen phthalate?

4

What is the SMILES of ethyl hydrogen phthalate?

COC(=O)C1=CC=CC=C1C(=O)O

What is the water solubility of methyl hydrogen phthalate?

Methyl hydrogen phthalate insoluble in water