Benzeneacetic acid, alpha-oxo-, 2-(2-hydroxyethoxy)ethyl ester

Base Information

• Chemical Name: Benzeneacetic acid, alpha-oxo-, 2-(2-hydroxyethoxy)ethyl ester
• CAS No.: 442536-99-4
• Molecular Formula: C12H14 O5
• Molecular Weight: 238.24
• European Community (EC) Number: 689-351-4
• DSSTox Substance ID: DTXSID0074972
• Wikidata: Q82003074
• Mol file: 442536-99-4.mol

Synonyms:442536-99-4;Benzeneacetic acid, alpha-oxo-, 2-(2-hydroxyethoxy)ethyl ester;2-(2-hydroxyethoxy)ethyl 2-oxo-2-phenylacetate;Benzeneacetic acid, .alpha.-oxo-, 2-(2-hydroxyethoxy)ethyl ester;Benzeneacetic acid, alpha-oxo-,2-(2-hydroxyethoxy) ethyl ester;SCHEMBL194429;DTXSID0074972;RQGSZGCFMVGVJR-UHFFFAOYSA-N;NS00020089;phenylglyoxylic acid (2-hydroxyethoxy)ethyl ester

Chemical Property of Benzeneacetic acid, alpha-oxo-, 2-(2-hydroxyethoxy)ethyl ester

Chemical Property:

• Vapor Pressure: 9.06E-07mmHg at 25°C
• Boiling Point: 389.6°C at 760 mmHg
• PKA: 14.31±0.10(Predicted)
• Flash Point: 148.5°C
• PSA: 72.83000
• Density: 1.225g/cm³
• LogP: 0.42140
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 238.08412354
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C(=O)OCCOCCO

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