Cas no 85448-30-2 (Dimethyl phthalate-d)

Dimethyl phthalate-d (DMP-d) is a deuterated analog of dimethyl phthalate, where hydrogen atoms are replaced with deuterium, enhancing its utility in analytical and research applications. This isotopically labeled compound is particularly valuable as an internal standard in mass spectrometry and NMR spectroscopy, ensuring high precision in quantitative analyses. Its chemical stability and compatibility with organic solvents make it suitable for trace-level detection in environmental and pharmaceutical studies. DMP-d also serves as a reference material for metabolic and degradation studies, providing reliable data due to its minimal interference with natural isotopes. Its consistent purity and well-characterized properties support reproducible results in advanced laboratory workflows.
Dimethyl phthalate-d structure
Dimethyl phthalate-d structure
Product Name:Dimethyl phthalate-d
CAS No:85448-30-2
MF:C10H10O4
MW:200.220973491669
MDL:MFCD00084138
CID:990509
PubChem ID:24874834
Update Time:2025-06-13

Dimethyl phthalate-d Chemical and Physical Properties

Names and Identifiers

    • DIMETHYL-D6 PHTHALATE
    • PHTHALIC ACID DIMETHYL ESTER (D6)
    • DI(2H3)METHYL PHTHALATE
    • Dimethyl-d6 phthalate, analytical standard
    • Q63409891
    • Dimethyl phthalate-d
    • Phthalic acid, di(methyl-d3) ester (7CI)
    • Dimethyl-d6 phthalate, 98 atom % D
    • 1,2-Benzenedicarboxylic acid, di(methyl-d3) ester
    • Phthalic Acid Di(methyl-d3) Ester
    • DTXSID40109465
    • Dimethyl phthalate-d6
    • 85448-30-2
    • HY-N7106S1
    • CS-0214052
    • bis(trideuteriomethyl) benzene-1,2-dicarboxylate
    • MDL: MFCD00084138
    • Inchi: 1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3/i1D3,2D3
    • InChI Key: NIQCNGHVCWTJSM-WFGJKAKNSA-N
    • SMILES: C(C1C=CC=CC=1C(=O)OC([2H])([2H])[2H])(=O)OC([2H])([2H])[2H]

Computed Properties

  • Exact Mass: 200.09556927g/mol
  • Monoisotopic Mass: 200.09556927g/mol
  • Isotope Atom Count: 6
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.214?g/mL?at 25?°C
  • Melting Point: 2?°C (lit.)
  • Boiling Point: 282?°C(lit.)
  • Flash Point: Fahrenheit: 294.8 ° f < br / > Celsius: 146 ° C < br / >
  • Refractive Index: 1.514
  • Vapor Pressure: No data available

Dimethyl phthalate-d Security Information

Dimethyl phthalate-d Pricemore >>

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Dimethyl phthalate-d Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol-d4 ,  Water ;  90 min, 70 °C
Reference
Variations in GC-MS Response Between Analytes and Deuterated Analogs
Alzweiri, Muhammed; et al, Chromatographia, 2015, 78(3-4), 251-258

Dimethyl phthalate-d Raw materials

Dimethyl phthalate-d Preparation Products

Additional information on Dimethyl phthalate-d

Dimethyl phthalate-d (CAS No. 85448-30-2): A Comprehensive Guide to Its Properties and Applications

Dimethyl phthalate-d (CAS No. 85448-30-2), also known as DMP-d, is a deuterated analog of dimethyl phthalate (DMP). This compound is widely used in analytical chemistry, environmental science, and pharmaceutical research due to its unique isotopic labeling. The deuterium substitution in DMP-d enhances its utility as an internal standard in mass spectrometry and nuclear magnetic resonance (NMR) studies, ensuring accurate quantification and traceability in complex matrices.

The growing demand for isotopically labeled compounds like Dimethyl phthalate-d is driven by advancements in precision medicine and environmental monitoring. Researchers increasingly rely on DMP-d to study metabolic pathways, pollutant degradation, and drug metabolism. Its stability and compatibility with high-resolution analytical techniques make it indispensable in modern laboratories.

One of the key advantages of Dimethyl phthalate-d (CAS No. 85448-30-2) is its role in green chemistry. As industries shift toward sustainable practices, deuterated compounds are gaining traction for reducing chemical waste and improving process efficiency. DMP-d is particularly valuable in LC-MS and GC-MS workflows, where it minimizes interference and enhances signal clarity.

In the context of consumer safety, Dimethyl phthalate-d is often discussed in relation to phthalate exposure and human biomonitoring. Public interest in endocrine-disrupting chemicals (EDCs) has surged, with many seeking information on how deuterated standards like DMP-d help detect and quantify such compounds in biological samples. This aligns with global efforts to assess chemical safety and regulatory compliance.

From a technical perspective, CAS No. 85448-30-2 is characterized by high chemical purity and isotopic enrichment, typically exceeding 98%. These specifications ensure reproducibility in research applications, whether in forensic toxicology or material science. The compound’s compatibility with aqueous and organic solvents further broadens its utility.

Looking ahead, the applications of Dimethyl phthalate-d are expected to expand into emerging fields such as microplastics research and personalized healthcare. As analytical techniques evolve, the demand for high-performance isotopic standards will continue to rise, solidifying DMP-d as a cornerstone of scientific innovation.

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