Acetyl triethyl citrate

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Catalog Number
ACM77894-4
Product Name
Acetyl triethyl citrate
Structure
Structure
CAS
77-89-4
Category
Polymer/Macromolecule
Synonyms
Triethyl O-acetylcitrate
IUPAC Name
Triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
Molecular Weight
318.32
Molecular Formula
C14H22O8
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
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