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4376-20-9

4376-20-9 structural image
Product Name: PHTHALIC ACID MONO-2-ETHYLHEXYL ESTER
Formula: C16H22O4
Synonyms: mono-2-Ethylhexyl phthalate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Mono(2-ethylhexyl)phthalate is a clear colorless to cloudy white viscous liquid. (NTP, 1992)
Boiling Point greater than 572 °F at 760 mmHg (NTP, 1992)
Flash Point greater than 200 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 1.0688 at 73 °F (NTP, 1992) - Denser than water; will sink
Collision Cross Section 182.27 Ų [M+Na]+ 168.91 Ų [M-H]-
Kovats Retention Index 2152

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye 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.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 278.34 g/mol
XLogP3 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 278.15180918 g/mol
Monoisotopic Mass 278.15180918 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 314
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Mono(2-ethylhexyl)phthalate is a clear colorless to cloudy white viscous liquid. (NTP, 1992)