Tributyl citrate

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Catalog Number
ACM77941-1
Product Name
Tributyl citrate
Structure
Structure
CAS
77-94-1
Category
Polymer/Macromolecule
Description
Liquid
Synonyms
Tri-n-butyl citrate;Tributyl 2-hydroxy-1,2,3-propanetricarboxylate;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tributyl ester;1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tributyl ester;Citric acid, tributyl ester
IUPAC Name
Tributyl 2-hydroxypropane-1,2,3-tricarboxylate
Molecular Weight
360.44
Molecular Formula
C18H32O7
Canonical SMILES
CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O
InChI
ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
InChI Key
InChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
Boiling Point
234 °C 17mmHg
Melting Point
>300 °C(lit.)
Flash Point
300 °C
Density
1.043g/ml
Appearance
Colorless to Almost colorless clear liquid
Alpha Sort
Tributyl citrate
Assay
0.9999
Complexity
382
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
201-071-2
Exact Mass
360.21480336
Formal Charge
0
H-Bond Acceptor
7
H-Bond Donor
1
Heavy Atom Count
25
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
MDL Number
MFCD00027217
Monoisotopic Mass
360.21480336
NSC Number
8491
Packaging
1 kg
Physical State
Liquid
Refractive Index
1.443-1.446
Rotatable Bond Count
17
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Store in a cool, dry place. Keep container closed when not in use.
Topological Polar Surface Area
99.1 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
827D5B1B6S
Viscosity
32cp (25°C)
XLogP3
2.7
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