Dihexyl phthalate

Base Information

• Chemical Name: Dihexyl phthalate
• CAS No.: 84-75-3
• Molecular Formula: C20H30 O4
• Molecular Weight: 334.456
• Hs Code.: 2917349000
• European Community (EC) Number: 271-093-5,201-559-5
• NSC Number: 4817
• UN Number: 3082
• UNII: 42MAH1QFG5
• DSSTox Substance ID: DTXSID6025068
• Nikkaji Number: J35.438D
• Wikidata: Q26841288
• Metabolomics Workbench ID: 130591
• ChEMBL ID: CHEMBL3181956
• Mol file: 84-75-3.mol

Synonyms:di-n-hexyl phthalate;dihexyl phthalate;phthalic acid dihexyl ester

Chemical Property of Dihexyl phthalate

Chemical Property:

• Vapor Pressure: 6.93E-06mmHg at 25°C
• Melting Point: 65℃
• Refractive Index: 1.4870
• Boiling Point: 185-187200.1 °C 0,5mm
• Flash Point: 200.1 200.1 °C
• PSA: 52.60000
• Density: 1,01 g/cm3
• LogP: 5.16080
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water (0.24 mg/L).
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 334.21440943
• Heavy Atom Count: 24
• Complexity: 320
• Transport DOT Label: Class 9

Purity/Quality:

98% ^*data from raw suppliers

Di-n-hexylPhthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-62-63
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Phthalate Esters
• Canonical SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC
• Uses: Phthalates are by far the most widely used plasticizers, primarily to make soft and flexible polyvinyl chloride (PVC) for the applications in the industry of automotive, building & construction material, cable, flooring, medical device and toys. Minor quantity of phthalates are used in adhesives, caulk, sealants, paint to improve work performance. Small molecule phthalates are used as solvents in perfumes to provide longer linger longer and in nail polish to prevent chipping. Dihexyl phthalate may be used as an analytical standard for the determination of the analyte in food samples, beverages, and bottled water by various chromatography techniques.

Technology Process of Dihexyl phthalate

There total 3 articles about Dihexyl 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: 95.0%

phthalic anhydride (85-44-9) + hexan-1-ol (111-27-3) → dihexyl phthalate (84-75-3)

Guidance literature:

With sulfonated graphene; In toluene; at 112 ℃; for 6h;

DOI:10.1039/c4ra11205a

Reference yield:

Diethyl phthalate (84-66-2) + hexan-1-ol (111-27-3) → dihexyl phthalate (84-75-3)

Guidance literature:

With sodium;

Reference yield:

→ dihexyl phthalate (84-75-3)

Guidance literature:

potassium phthalate, n-C6H13Br, in DMF;

upstream raw materials:

Diethyl phthalate

hexan-1-ol

phthalic anhydride

Downstream raw materials:

hexyl formate

Refernces

• 1、 Garg, Bhaskar,Bisht, Tanuja,Ling, Yong-Chien. "Sulfonated graphene as highly efficient and reusable acid carbocatalyst for the synthesis of ester plasticizers". . p. 57297 - 57307. Retrieved 2015/02/02.
• 2、 Fan, Xingjun,Yuan, Keguo,Hao, Caili,Li, Nan,Tan, Ganzu,Yu, Xianda. "Esterification by microwave irradiation on activated carbon". . p. 287 - 290. Retrieved 2007/10/03.