Octadecyl hydrogen phthalate

Base Information

• Chemical Name: Octadecyl hydrogen phthalate
• CAS No.: 17181-26-9
• Molecular Formula: C26H42 O4
• Molecular Weight: 418.617
• Hs Code.: 2918990090
• European Community (EC) Number: 241-227-7
• UNII: K5319YP21S
• DSSTox Substance ID: DTXSID20169168
• Nikkaji Number: J25.908J
• Wikidata: Q83038821
• Mol file: 17181-26-9.mol

Synonyms:Octadecyl hydrogen phthalate;17181-26-9;2-octadecoxycarbonylbenzoic acid;K5319YP21S;EINECS 241-227-7;SCHEMBL795642;UNII-K5319YP21S;Phthalic acid 1-octadecyl ester;DTXSID20169168;HYDROGEN OCTADECYL PHTHALATE;1-OCTADECYL 1,2-BENZENEDICARBOXYLATE;1,2-BENZENEDICARBOXYLIC ACID, 1-OCTADECYL ESTER

Chemical Property of Octadecyl hydrogen phthalate

Chemical Property:

• Vapor Pressure: 2.47E-12mmHg at 25°C
• Boiling Point: 536.3°Cat760mmHg
• Flash Point: 168.2°C
• PSA: 63.60000
• Density: 0.995g/cm³
• LogP: 7.80310
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 418.30830982
• Heavy Atom Count: 30
• Complexity: 435

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

Technology Process of Octadecyl hydrogen phthalate

There total 2 articles about Octadecyl hydrogen 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:

phthalic anhydride (85-44-9) + 1-octadecanol (112-92-5) → mono-octadecyl ortho-phthalate (17181-26-9)

Guidance literature:

at 105 - 110 ℃;

DOI:10.1021/ja01265a094

Reference yield:

→ mono-octadecyl ortho-phthalate (17181-26-9)

Guidance literature:

Phthalsaeureanhydrid, n-Octadecylalkohol;

Reference yield: 74.0%

mono-octadecyl ortho-phthalate (17181-26-9) → Phthalsaeurestearylesterchlorid (95241-38-6)

Guidance literature:

With thionyl chloride; In benzene; at 40 ℃; for 2h;

DOI:10.1007/BF00809350

upstream raw materials:

phthalic anhydride

1-octadecanol

Downstream raw materials:

Phthalsaeurestearylesterchlorid

Ethoxyethyl-stearyl-phthalat

Refernces