Monohexyl Phthalate

Base Information

• Chemical Name: Monohexyl Phthalate
• CAS No.: 24539-57-9
• Molecular Formula: C14H18 O4
• Molecular Weight: 250.295
• Hs Code.: 2918990090
• European Community (EC) Number: 246-302-8
• DSSTox Substance ID: DTXSID40947420
• Nikkaji Number: J162.981F
• Wikidata: Q27225615
• Metabolomics Workbench ID: 74839
• Mol file: 24539-57-9.mol

Synonyms:MNHP;mono-n-hexyl phthalate

Chemical Property of Monohexyl Phthalate

Chemical Property:

• Vapor Pressure: 9.66E-07mmHg at 25°C
• Melting Point: 12 °C
• Boiling Point: 388.8°Cat760mmHg
• PKA: 3.39±0.36(Predicted)
• Flash Point: 142.1°C
• PSA: 63.60000
• Density: 1.125g/cm³
• LogP: 3.12190
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

98%,99%, ^*data from raw suppliers

Monohexyl Phthalate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)C1=CC=CC=C1C(=O)O
• Uses: Monohexyl Phthalate is a phthalate ester that was used to characterize human salivary esterase in enzymatic hydrolysis.

Technology Process of Monohexyl Phthalate

There total 1 articles about Monohexyl 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: 100.0%

phthalic anhydride (85-44-9) + hexan-1-ol (111-27-3) → mono-n-hexyl phthalate (24539-57-9)

Guidance literature:

at 20 - 50 ℃; for 1h; Temperature;

Reference yield: 95.0%

mono-n-hexyl phthalate (24539-57-9) + 3-diethylaminophenol (91-68-9) → n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate (302776-68-7)

Guidance literature:

With zinc(II) chloride; trichlorophosphate; In dimethyl sulfoxide; at 20 - 50 ℃; for 5h; Solvent; Temperature;

upstream raw materials:

phthalic anhydride

hexan-1-ol

Downstream raw materials:

n-hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate