77-90-7

Product Name: Acetyl tributyl citrate

Formula: C20H34O8

Synonyms: 2-(Acetyloxy)-1,2,3-Propanetricarboxylic acid tributyl ester;Acetyl tributyl citrate;Tributyl 2-acetylcitrate;Tributylacetyl citrate

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CHEMICAL AND PHYSICAL PROPERTIES COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Liquid; Other Solid; Pellets or Large Crystals
Color/Form	Colorless liquid
Odor	Very faint sweet, herbaceous odor
Taste	At high levels (e.g., 1000 ppm emulsion in water) it has a mild, fruity, non-descript flavor.
Boiling Point	331 °C at 732 mm Hg
Melting Point	-80 °C
Flash Point	204 °C
Solubility	In water, 5 mg/L, temp not specified
Density	1.046 at 25 °C
Vapor Density	14.1 (Air = 1; 20 °C)
Vapor Pressure	0.00000455 [mmHg]
LogP	log Kow = 4.92
Henry's Law Constant	Henry's Law constant = 3.8X10-10 atm-cu m/mole at 25 °C /Estimated/
Stability/Shelf Life	Stable under recommended storage conditions.
Decomposition	When heated to decomposition it emits acrid smoke and irritating vapors.
Viscosity	42.7 cPs at 25 °C
Odor Threshold	Odor perception threshold is 50 mg/L.
Refractive Index	Index of refraction= 1.4408 at 25 °C
Collision Cross Section	199.82 Å² [M+H]+ 205.77 Å² [M+Na]+ 291.52 Å² [2M+Na]+
Kovats Retention Index	2253 2224 2253 2253 2224
Other Experimental Properties	When heated to decomposition it emits acrid smoke and irritating fumes.
Chemical Classes	Other Classes -> Esters, Other

Molecular Weight	402.5 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	19
Exact Mass	402.22536804 g/mol
Monoisotopic Mass	402.22536804 g/mol
Topological Polar Surface Area	105 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	476
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes