2-Methyl-1-phenyl-2-propanol
2-Methyl-1-phenyl-2-propanol
  • CAS No.:100-86-7
Other grades of this product :
2-Methyl-1-phenyl-2-propanol Basic information
Product Name:2-Methyl-1-phenyl-2-propanol
Synonyms:1-PHENYL-2-METHYL-2-PROPANOL;2-METHYL-1-PHENYL-2-PROPANOL;2-HYDROXY-2-METHYL-1-PHENYL PROPANE;1,1-DIMETHYL-2-PHENYLETHANOL;A,A-DIMETHYLPHENETHYL ALCOHOL;ALPHA,ALPHA-DIMETHYL PHENETHYL ALCOHOL;ALPHA,ALPHA-DIMETHYL-BETA-PHENYLETHYL ALCOHOL;PHENYL-TERT-BUTANOL
CAS:100-86-7
MF:C10H14O
MW:150.22
EINECS:202-896-0
Product Categories:Pharmaceutical Raw Materials
Mol File:100-86-7.mol
2-Methyl-1-phenyl-2-propanol Chemical Properties
Melting point 23-25 °C(lit.)
Boiling point 94-96 °C10 mm Hg(lit.)
density 0.974 g/mL at 25 °C(lit.)
vapor pressure 1hPa at 25℃
refractive index n20/D 1.514(lit.)
FEMA 2393 | ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL
Fp 178 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Sparingly), DMSO (Sparingly, Heated)
pka15.31±0.29(Predicted)
form Oil
color Colourless
Water Solubility Slightly soluble in water.
JECFA Number1653
BRN 1855608
InChIKeyRIWRBSMFKVOJMN-UHFFFAOYSA-N
LogP1.87 at 25℃
CAS DataBase Reference100-86-7(CAS DataBase Reference)
NIST Chemistry ReferenceBenzeneethanol, «alpha»,«alpha»-dimethyl-(100-86-7)
EPA Substance Registry System.alpha.,.alpha.-Dimethylbenzeneethanol (100-86-7)
Safety Information
Hazard Codes Xn
Risk Statements 22
Safety Statements 23-24/25
WGK Germany 2
RTECS SG8050000
TSCA Yes
HS Code 29062900
toxicityThe acute oral LD50 in rats was reported as 1.35 g/kg (1.02-1.68 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Moreno, 1973).
MSDS Information
ProviderLanguage
1,1-Dimethyl-2-phenylethanol English
ACROS English
SigmaAldrich English
ALFA English
2-Methyl-1-phenyl-2-propanol Usage And Synthesis
Chemical PropertiesClear colorless liquid or low melting solid
Chemical Properties2-Methyl-1-phenyl-2-propanol has not yet been found in nature. The alcohol has a floral, herbaceous odor, reminiscent of lilac, and is prepared by a Grignard reaction of benzylmagnesium chloride and acetone. It is used in perfumery for various flower notes (e.g., lilac, hyacinth, mimosa). The alcohol is stable to alkali and is thus suited for soap perfumes. It is used to prepare a number of esters, which are also used as fragrance substances.
Chemical Propertiesα,α-Dimethylphenethyl alcohol has a fresh, floral odor and bitter taste.
OccurrenceReported found in cocoa.
Uses2-Methyl-1-phenyl-2-propanol is used in confecting floral essences, such as lily, narcissus, jasmine and keiskei and other advanced floral essences. Its acetic ester has fresh fragrance so that it has especial value.
Uses2-Methyl-1-phenyl-2-propanol was used in the preparation of 2-methyl-1-phenyl-2-propyl bromide.
PreparationFrom acetone and benzyl magnesium chloride or benzyl magnesium bromide.
Synthesis Reference(s)Tetrahedron Letters, 27, p. 3129, 1986 DOI: 10.1016/S0040-4039(00)84733-4
Flammability and ExplosibilityNotclassified
Safety ProfileModerately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

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