1-Ethyl citrate

Base Information

• Chemical Name: 1-Ethyl citrate
• CAS No.: 30306-93-5
• Molecular Formula: C8H12O7
• Molecular Weight: 220.17668
• European Community (EC) Number: 250-122-5
• UNII: Y7R23627P5
• DSSTox Substance ID: DTXSID90889068
• Nikkaji Number: J2.016.403D
• Wikidata: Q27294358
• RXCUI: 2587731
• Mol file: 30306-93-5.mol

Synonyms:1-Ethyl citrate;(+/-)-1-Ethyl citrate;Citric acid, 1-ethyl ester;4552-00-5;30306-93-5;monoethyl citrate;UNII-Y7R23627P5;Y7R23627P5;2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid;Ethyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-ethyl ester;EINECS 250-122-5;UNII-V245QVT45T;2-(2-ethoxy-2-oxoethyl)-2-hydroxysuccinic acid;Citronensaureathylester;SCHEMBL72953;V245QVT45T;DTXSID90889068;Q27294358;1,2,3-Propanetricarboxylic acid,2-hydroxy-,ethyl ester

Chemical Property of 1-Ethyl citrate

Chemical Property:

• Boiling Point: 432.7°Cat760mmHg
• Flash Point: 174.8°C
• PSA: 121.13000
• Density: 1.459g/cm³
• LogP: -0.77000
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 220.05830272
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(CC(=O)O)(C(=O)O)O