Acetyl triethyl citrate

• CAS: 77-89-4
• Catalog Number: ACM77894-4
• Category: Polymer/Macromolecule
• Molecular Weight: 318.32
• Molecular Formula: C14H22O8
• Synonyms: Triethyl O-acetylcitrate
• IUPAC Name: Triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
• Canonical SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C
• InChI: InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
• InChI Key: WEAPVABOECTMGR-UHFFFAOYSA-N
• Boiling Point: 228-229 °C
• Melting Point: -42°C
• Flash Point: >230 °F
• Density: 1.136 g/mL
• Appearance: colorless or light yellow liquid
• Alpha Sort: Acetyl triethyl citrate
• Complexity: 395
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 201-066-5
• Exact Mass: 318.13146766
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 0
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 318.13146766
• Rotatable Bond Count: 13
• Safety Description: 23-24/25
• Topological Polar Surface Area: 105 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 53.7cp (25°C)
• WGK Germany: 1

Custom Q&A

What is the molecular formula of Acetyl triethyl citrate?

The molecular formula of Acetyl triethyl citrate is C14H22O8.

What is the molecular weight of Acetyl triethyl citrate?

The molecular weight of Acetyl triethyl citrate is 318.32 g/mol.

What is the IUPAC name of Acetyl triethyl citrate?

The IUPAC name of Acetyl triethyl citrate is triethyl 2-acetyloxypropane-1,2,3-tricarboxylate.

What is the InChI of Acetyl triethyl citrate?

The InChI of Acetyl triethyl citrate is InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3.

What is the InChIKey of Acetyl triethyl citrate?

The InChIKey of Acetyl triethyl citrate is WEAPVABOECTMGR-UHFFFAOYSA-N.

What is the canonical SMILES of Acetyl triethyl citrate?

The canonical SMILES of Acetyl triethyl citrate is CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)OC(=O)C.

What is the CAS number of Acetyl triethyl citrate?

The CAS number of Acetyl triethyl citrate is 77-89-4.

What is the European Community (EC) number of Acetyl triethyl citrate?

The European Community (EC) number of Acetyl triethyl citrate is 201-066-5.

What is the UNII of Acetyl triethyl citrate?

The UNII of Acetyl triethyl citrate is 5WBR36T90E.

What is the ChEMBL ID of Acetyl triethyl citrate?

The ChEMBL ID of Acetyl triethyl citrate is CHEMBL2105928.