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78-42-2

78-42-2 structural image
Product Name: Tris(2-ethylhexyl) phosphate
Formula: C24H51O4P
Synonyms: ‘Trioctyl’ phosphate;Phosphoric acid tris(2-ethylhexyl ester);Tris(2-ethylhexyl) phosphate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tris(2-ethylhexyl)phosphate is a clear colorless to pale yellow liquid with a slight sharp odor. (NTP, 1992)
Boiling Point 374 to 451 °F at 760 mmHg (decomposes) (NTP, 1992)
Melting Point -94 °F (NTP, 1992)
Flash Point 305 °F (NTP, 1992)
Solubility less than 1 mg/mL at 64 °F (NTP, 1992)
Density 0.9262 at 68 °F (NTP, 1992) - Less dense than water; will float
Vapor Density 14.95 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 1.9 mmHg at 392 °F (NTP, 1992)
Autoignition Temperature 698 °F (NTP, 1992)
Collision Cross Section 219.15 Ų [M+H]+ 315.91 Ų [2M+H]+ 231.8 Ų [M+Na]+ 327.65 Ų [2M+Na]+
Kovats Retention Index 2463 2448 2463 2463 2470.7

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 434.6 g/mol
XLogP3 8.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 21
Exact Mass 434.35249710 g/mol
Monoisotopic Mass 434.35249710 g/mol
Topological Polar Surface Area 44.8 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 345
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tris(2-ethylhexyl)phosphate is a clear colorless to pale yellow liquid with a slight sharp odor. (NTP, 1992)