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78-51-3

78-51-3 structural image
Product Name: Tris(2-butoxyethyl) phosphate
Formula: C18H39O7P
Synonyms: Phosphoric acid tris(2-butoxyethyl) ester
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tributoxyethyl phosphate is a slightly yellow viscous liquid. (NTP, 1992)
Color/Form Liquid
Odor SWEETISH
Boiling Point 392 to 446 °F at 4 mmHg (NTP, 1992)
Melting Point -94 °F (NTP, 1992)
Flash Point 435 °F (NTP, 1992)
Solubility Soluble (NTP, 1992)
Density 1.02 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 13.8 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.03 mmHg at 302 °F (NTP, 1992)
LogP low Kow = 3.75
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits toxic fumes of /phosphorous oxides/
Refractive Index Index of refraction: 1.434 at 25 °C
Collision Cross Section 196.44 Ų [M+H]+ 199.36 Ų [M+Na]+
Kovats Retention Index 2360 2364 2363 2363 2363 2363 2384.1 397.3
Chemical Classes Other Classes -> Organophosphates, Other

COMPUTED DESCRIPTORS

Molecular Weight 398.5 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 21
Exact Mass 398.24334058 g/mol
Monoisotopic Mass 398.24334058 g/mol
Topological Polar Surface Area 72.4 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 281
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

PRODUCT INTRODUCTION

description

Tributoxyethyl phosphate is a slightly yellow viscous liquid. (NTP, 1992)