Acetyl tributyl citrate

• CAS: 77-90-7
• Catalog Number: ACM77907-6
• Category: Polymer/Macromolecule
• Molecular Weight: 402.5
• Molecular Formula: C20H34O8
• Synonyms: Tributyl O-acetylcitrate
• IUPAC Name: Tributyl 2-acetyloxypropane-1,2,3-tricarboxylate
• Canonical SMILES: CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C
• InChI: InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
• InChI Key: QZCLKYGREBVARF-UHFFFAOYSA-N
• Boiling Point: 327 °C
• Melting Point: -59 °C
• Flash Point: >230 °F
• Density: 1.05 g/mL
• Appearance: Clear viscous liquid
• Alpha Sort: Acetyl tributyl citrate
• Complexity: 476
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 201-067-0
• Exact Mass: 402.22536804
• Formal Charge: 0
• H-Bond Acceptor: 8
• H-Bond Donor: 0
• Heavy Atom Count: 28
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 402.22536804
• Rotatable Bond Count: 19
• Safety Description: S24/25
• Stability: Stable.
• Topological Polar Surface Area: 105 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 32.7cp (25°C)
• WGK Germany: 3

Custom Q&A

What is the molecular formula of acetyl tributyl citrate?

The molecular formula of acetyl tributyl citrate is C20H34O8.

What is the molecular weight of acetyl tributyl citrate?

The molecular weight of acetyl tributyl citrate is 402.5 g/mol.

What are the synonyms of acetyl tributyl citrate?

The synonyms of acetyl tributyl citrate are ACETYL TRIBUTYL CITRATE, tributyl 2-acetoxypropane-1,2,3-tricarboxylate, Acetyltributyl citrate, and Tributyl acetylcitrate.

What is the IUPAC name of acetyl tributyl citrate?

The IUPAC name of acetyl tributyl citrate is tributyl 2-acetyloxypropane-1,2,3-tricarboxylate.

What is the InChI of acetyl tributyl citrate?

The InChI of acetyl tributyl citrate is InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3.

What is the InChIKey of acetyl tributyl citrate?

The InChIKey of acetyl tributyl citrate is QZCLKYGREBVARF-UHFFFAOYSA-N.

What is the canonical SMILES of acetyl tributyl citrate?

The canonical SMILES of acetyl tributyl citrate is CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C.

What is the CAS number of acetyl tributyl citrate?

The CAS number of acetyl tributyl citrate is 77-90-7.

What is the FEMA number of acetyl tributyl citrate?

The FEMA number of acetyl tributyl citrate is 3080.

What is the ChEMBL ID of acetyl tributyl citrate?

The ChEMBL ID of acetyl tributyl citrate is CHEMBL1904556.