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2-PHENYL-2-PROPANOL

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CAS:617-94-7
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2-PHENYL-2-PROPANOL Basic information
Product Name:2-PHENYL-2-PROPANOL
Synonyms:1-Phenyl-1-methylethanol;2-Phenyl-2-propanol (2-Phenylisoprapanol);2-phenyl-propan-2-ol;2-Propanol, 2-phenyl-;alpha,alpha-dimethyl-benzenemethano;alpha,alpha-Dimethylbenzenemethanol;alpha,alpha-dimethyl-benzylalcoho;Benzyl alcohol, alpha,alpha-dimethyl-
CAS:617-94-7
MF:C9H12O
MW:136.19
EINECS:210-539-5
Product Categories:Pyrazoles
Mol File:617-94-7.mol
2-PHENYL-2-PROPANOL Structure
2-PHENYL-2-PROPANOL Chemical Properties
Melting point 28-32 °C (lit.)
Boiling point 202 °C (lit.)
density 0.973 g/mL at 25 °C (lit.)
vapor pressure 23Pa at 20℃
refractive index n20/D 1.5196(lit.)
Fp 190 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform, Methanol (Slightly)
form Liquid After Melting
pka14.49±0.29(Predicted)
color Clear colorless to light yellow
Odorat 100.00 %. mild green sweet earthy
Odor Typegreen
Water Solubility Insoluble in water.
BRN 1905012
Henry's Law Constant2.0×101 mol/(m3Pa) at 25℃, Wang et al. (2017)
Cosmetics Ingredients FunctionsPERFUMING
LogP1.89 at 25℃
CAS DataBase Reference617-94-7(CAS DataBase Reference)
EPA Substance Registry System2-Phenyl-2-propanol (617-94-7)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-36/37/38
Safety Statements 26-36
RIDADR 1325
WGK Germany 3
RTECS DO4562000
Hazard Note Irritant
TSCA TSCA listed
HS Code 29062990
Hazardous Substances Data617-94-7(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
2-PHENYL-2-PROPANOL Usage And Synthesis
Chemical Propertiesclear colorless to yellow liquid after melting
Uses2-Phenyl-2-propanol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
DefinitionChEBI: A tertiary alcohol that is isopropanol in which the hydrogen attached to the carbon bearing the hydroxy group has been replaced by a phenyl group.
Synthesis Reference(s)The Journal of Organic Chemistry, 25, p. 1000, 1960 DOI: 10.1021/jo01076a035
Tetrahedron Letters, 22, p. 2191, 1981 DOI: 10.1016/S0040-4039(01)90495-2
Flammability and ExplosibilityNot classified
Synthesis

(1) Isopropylbenzene and a solid catalyst are added to a reactor and ultrasonicated to form a suspension; said solid catalyst is a nitrogen-doped carbon material, and said nitrogen-doped carbon material is nitrogen-doped carbon nanotubes, nitrogen-doped graphene, or nitrogen-doped activated carbon; the amount of nitrogen-doped carbon material doped is 2 to 4.0% by mass percentage; the weight ratio of said nitrogen-doped carbon material solid catalyst to isopropylbenzene is 0.006 to 0.012:1;

(2) the resulting suspension was heated to 40-100C, oxygen was passed in, and the reaction was carried out at atmospheric pressure for 1-12h; the oxidizing agent was passed in by bulging, and the flow rate of the oxygen was 0.5-1.5mL/min per mL of isopropylbenzene;

(3) after the reaction of step (2) was completed, the reaction mixture was separated, and the solid catalyst and a liquid mixture containing 2-phenyl-2-propanol, acetophenone and isopropylbenzene hydroperoxide;

(4) separating and purifying the liquid mixture in step (3) to obtain the target products 2-phenyl-2-propanol and acetophenone.

Toxics Screening LevelThe ITSL for phenyl isopropanol is 4 μg/m3, based on an annual average.
Tag:2-PHENYL-2-PROPANOL(617-94-7) Related Product Information
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