Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-

Base Information

• Chemical Name: Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
• CAS No.: 50772-35-5
• Deprecated CAS: 128396-70-3
• Molecular Formula: C20H32O3
• Molecular Weight: 320.472
• Hs Code.: 2918990090
• European Community (EC) Number: 256-756-9
• DSSTox Substance ID: DTXSID9068580
• Nikkaji Number: J179.163J
• Wikidata: Q72470133
• Mol file: 50772-35-5.mol

Synonyms:50772-35-5;4-(2,4-Di-tert-pentylphenoxy)butanoic acid;4-(2,4-Di-tert-pentylphenoxy)butyric acid;4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid;Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-;4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoic acid;EINECS 256-756-9;Butanoic acid, 4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-;4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid;4-[2,4-bis(tert-pentyl)phenoxy]butyric acid;SCHEMBL1285803;DTXSID9068580;STK396633;AKOS001426473;UPCMLD0ENAT5883862:001;FT-0653008;4-(2,4-Ditert-pentylphenoxy)butanoic acid #;EN300-19039;4-(2',4'-Di-tert-pentylphenoxy)butyric acid;4-(2'.4'-Di-tert-pentyl-phenoxy)-butyric acid;4-(2,4-Di-tert-pentylphenoxy)butyric acid, 97%;A828293;W-105931;Z104472314;Butanoic acid, 4-[2, 4-bis(2, 2-dimethylpropyl)phenoxy]-

Chemical Property of Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-

Chemical Property:

• Vapor Pressure: 1.07E-08mmHg at 25°C
• Melting Point: 99-101 °C(lit.)
• Refractive Index: 1.494
• Boiling Point: 444.9 °C at 760 mmHg
• Flash Point: 147.3 °C
• PSA: 46.53000
• Density: 0.989 g/cm³
• LogP: 5.30540
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 320.23514488
• Heavy Atom Count: 23
• Complexity: 373

Purity/Quality:

99% ^*data from raw suppliers

4-(2,4-Di-tert-pentylphenoxy)butyric acid 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)O)C(C)(C)CC

Technology Process of Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-

There total 1 articles about Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]- 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:

4-butanolide (96-48-0) + 2,4-di-tert-amylphenol (120-95-6) → 4-(2,4-di-tert-pentyl-phenoxy)-butyric acid (50772-35-5)

Guidance literature:

With sodium methylate;

Reference yield:

4-(2,4-di-tert-pentyl-phenoxy)-butyric acid (50772-35-5) → 4-(2,4-di-tert-pentyl-phenoxy)-butyryl chloride (50772-29-7)

Guidance literature:

With thionyl chloride;

upstream raw materials:

4-butanolide

2,4-di-tert-amylphenol

Downstream raw materials:

4-(2,4-di-tert-pentyl-phenoxy)-butyryl chloride