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617-94-7

617-94-7 structural image
Product Name: 2-PHENYL-2-PROPANOL
Formula: C9H12O
Synonyms: α,α-Dimethylbenzyl alcohol;Dimethyl phenyl carbinol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Color/Form PRISMS
Boiling Point 202 °C @ 760 MM HG
Melting Point 36 °C
Solubility INSOL IN WATER; SOL IN ETHANOL, ETHER, BENZENE
Density 0.9735 @ 20 °C/4 °C
Vapor Pressure Vapor pressure = 0.52 mm Hg at 37.8 °C
Corrosivity The /process/ of corrosion was studied at several points along the flow in a biological treatment facility for phenolic waters. The waters contained phenol, sulfate, isopropylbenzene hydroperoxide, butylphenol, dimethylphenylcarbinol and other organic substances. Sulfate has been reduced by the action of Desulfovibrio desulfuricans. The rate of corrosion was assessed quantitatively using gravimetric and penetration indices, qualitatively by macroscopic observation. The rate of corrosion on carbon steel ranged from 0.04 to 0.8 g/sq m/hr where local forms of corrosion were detected. ...
Refractive Index INDEX OF REFRACTION: 1.5325 @ 20 °C/D
Kovats Retention Index 1057
Other Experimental Properties CONVERSION FACTORS: 1 MG/L= 179.5 PPM @ 25 °C & 760 MM HG; 1 PPM= 5.57 MG/CU M @ 25 °C & 760 MM HG
Chemical Classes Other Classes -> Alcohols and Polyols, Other

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
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.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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.

COMPUTED DESCRIPTORS

Molecular Weight 136.19 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 136.088815002 g/mol
Monoisotopic Mass 136.088815002 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 101
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

2-phenylpropan-2-ol is a tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group. It has a role as a Mycoplasma genitalium metabolite and a human xenobiotic metabolite. It is a tertiary alcohol and a member of benzyl alcohols. It derives from a hydride of a cumene.

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