4-(4-Formyl-3,5-dimethoxyphenoxy)butanoic acid

Base Information

• Chemical Name: 4-(4-Formyl-3,5-dimethoxyphenoxy)butanoic acid
• CAS No.: 197304-21-5
• Molecular Formula: C₁₃H₁₆O₆
• Molecular Weight: 268.266
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40374318
• Nikkaji Number: J1.607.323G
• Wikidata: Q82162853
• Mol file: 197304-21-5.mol

Synonyms:197304-21-5;4-(4-formyl-3,5-dimethoxyphenoxy)butanoic acid;4-(4-FORMYL-3,5-DIMETHOXYPHENOXY)BUTYRIC ACID;4-(3',5'-Dimethoxy-4'-formyl)phenoxy butyric acid;Butanoic acid, 4-(4-formyl-3,5-dimethoxyphenoxy)-;4-(3', 5'-Dimethoxy-4'-formyl)phenoxy butyric Acid;SCHEMBL421566;DTXSID40374318;SEJSVFHBVLKHLB-UHFFFAOYSA-N;MFCD01317805;AKOS015912407;AC-6518;WS-02489;A4316;CS-0199941;FT-0643839;4-(3,5-Dimethoxy-4-formylphenoxy)butanoic acid;4-(3',5'-Dimethoxy-4'-formylphenoxy)butyric acid;4-(3', 5'-DIMETHOXY-4'-FORMYL)PHENOXY BUTYRIC ACID

Chemical Property of 4-(4-Formyl-3,5-dimethoxyphenoxy)butanoic acid

Chemical Property:

• Vapor Pressure: 1.65E-10mmHg at 25°C
• Refractive Index: 1.543
• Boiling Point: 492.3 °C at 760 mmHg
• PKA: 4.58±0.10(Predicted)
• Flash Point: 187.8 °C
• PSA: 82.06000
• Density: 1.234 g/cm³
• LogP: 1.75990
• Storage Temp.: Store at 0-5°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 268.09468823
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

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

4-(4-Formyl-3,5-dimethoxyphenoxy)butyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1C=O)OC)OCCCC(=O)O