4-Pentylphenyl 4-methylbenzoate

Base Information

• Chemical Name: 4-Pentylphenyl 4-methylbenzoate
• CAS No.: 50649-59-7
• Molecular Formula: C19H22O2
• Molecular Weight: 282.37678
• Hs Code.: 2916399090
• European Community (EC) Number: 256-683-2
• DSSTox Substance ID: DTXSID40198692
• Nikkaji Number: J261.576B
• Wikidata: Q72500316
• Mol file: 50649-59-7.mol

Synonyms:50649-59-7;4-Pentylphenyl 4-methylbenzoate;4-n-Pentylphenyl-4-methylbenzoate;4-Pentylphenyl p-toluate;(4-pentylphenyl) 4-methylbenzoate;EINECS 256-683-2;Benzoic acid, 4-methyl-, 4-pentylphenyl ester;SCHEMBL3624271;DTXSID40198692;4-n-Pentylphenyl 4-methylbenzoate;4-Pentylphenyl-4'-methyl benzoate;MFCD01076322;AKOS015917695;4-Pentylphenyl 4-methylbenzoate, 97%;CS-W012260;4-Methylbenzoic acid 4-pentylphenyl ester;DS-12623;4-Methyl-benzoic acid 4-pentyl-phenyl ester;FT-0650012;W-105940

Chemical Property of 4-Pentylphenyl 4-methylbenzoate

Chemical Property:

• Appearance/Colour: UN 3082 9/PG 3
• Vapor Pressure: 6.59E-07mmHg at 25°C
• Melting Point: 34-38 °C
• Refractive Index: 1.547
• Boiling Point: 409.3 °C at 760 mmHg
• Flash Point: 172.6 °C
• PSA: 26.30000
• Density: 1.04 g/cm³
• LogP: 4.94690
• Storage Temp.: 2-8°C
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 282.161979940
• Heavy Atom Count: 21
• Complexity: 297

Purity/Quality:

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

4-Pentylphenyl 4-methylbenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C
• Uses: Intermediates of Liquid Crystals