Dimethyl-d6 phthalate

Base Information

• Chemical Name: Dimethyl-d6 phthalate
• CAS No.: 85448-30-2
• Molecular Formula: C6D4(COOCH3)2
• Molecular Weight: 198.21
• DSSTox Substance ID: DTXSID40109465
• Nikkaji Number: J47.207G
• Wikidata: Q63409891
• Mol file: 85448-30-2.mol

Synonyms:Dimethyl-d6 phthalate;85448-30-2;Dimethyl phthalate-d6;bis(trideuteriomethyl) benzene-1,2-dicarboxylate;Phthalic Acid Di(methyl-d3) Ester;1,2-Benzenedicarboxylic acid, di(methyl-d3) ester;PHTHALIC ACID DIMETHYL ESTER (D6);Bis(methyl-d3) phthalate;HY-N7106S1;Dimethyl-d6 phthalate, 98 atom % D;Dimethyl-d6 phthalate, analytical standard;CS-0214052;A935585;Q63409891

Chemical Property of Dimethyl-d6 phthalate

Chemical Property:

• Vapor Pressure: 0.00331mmHg at 25°C
• Melting Point: 2oC(lit.)
• Boiling Point: 282oC(lit.)
• Flash Point: 146.1oC
• PSA: 52.60000
• Density: 1.214 g/mL at 25oC
• LogP: 1.25980
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 200.09556927
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

NLT 98% ^*data from raw suppliers

PhthalicAcidDi(methyl-d3)Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC=C1C(=O)OC
• Isomeric SMILES: [2H]C([2H])([2H])OC(=O)C1=CC=CC=C1C(=O)OC([2H])([2H])[2H]
• Uses: Phthalic Acid Di(methyl-d3) Ester is deuterium labelled Dimethyl Phalate (D477976), the methyl ester of phthalic acid. Dimethyl phthalate is an ectoparasiticide and has many other uses, including in solid rocket propellants, plastics, and insect repellents.

Technology Process of Dimethyl-d6 phthalate

There total 1 articles about Dimethyl-d6 phthalate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ dimethyl phthalate-d6 (85448-30-2)

Guidance literature:

Silber-phthalat, Trideuterio-methyliodid, Ae.;

DOI:10.1139/v63-349