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90-00-6

90-00-6 structural image
Product Name: 2-Ethylphenol
Formula: C8H10O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Ethylphenol is a yellow liquid. Freezing point -18 °C. Flash point 172 °F.
Color/Form METASTABLE & STABLE CRYSTAL FORM
Odor Phenol odor
Boiling Point 400.14 °F at 760 mmHg (NTP, 1992)
Melting Point -18 °F (NTP, 1992)
Flash Point 173 °F (NTP, 1992)
Solubility less than 1 mg/mL at 72 °F (NTP, 1992)
Density 1.037 (USCG, 1999) - Denser than water; will sink
Vapor Pressure 1 mmHg at 115.2 °F ; 5 mmHg at 164.1 °F; 10 mmHg at 188.6 °F (NTP, 1992)
LogP Log Kow = 2.47
Stability/Shelf Life COOLING LIQUID TO -30 °C GIVES METASTABLE CRYSTAL FORM, WHEN KEPT FOR 24-48 HR, THIS CHANGES TO STABLE CRYSTAL FORM
Refractive Index MAX ABSORPTION (CYCLOHEXANE): 270 NM (LOG E= 3.30), 276 NM (LOG E= 3.28); INDEX OF REFRACTION: 1.5367 @ 20 °C/D
Dissociation Constants pK = 10.2
Kovats Retention Index 1112.8 1108 1110 1106 1112 1112 1113 1115 1118 1104 1110 1114 1115 1113 1145 1115 1113 1119.7 1111 1177
Other Experimental Properties Cooling the liquid to -30 °C gives a metastable cryst form, mp about -28 °C; when kept for 24-48 hrs, this changes to the stable cryst form, mp -3.4 °C.
Chemical Classes Other Classes -> Phenols

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 122.16 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 122.073164938 g/mol
Monoisotopic Mass 122.073164938 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 80.6
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

Ethylphenol is a yellow liquid. Freezing point -18 °C. Flash point 172 °F.

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