2-Methyl-1-phenyl-2-propanol

2-Methyl-1-phenyl-2-propanol Basic information

Product Name:	2-Methyl-1-phenyl-2-propanol
Synonyms:	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;1-Piperidinecarboxylic acid, 4-amino-, ethyl ester
CAS:	100-86-7
MF:	C10H14O
MW:	150.22
EINECS:	202-896-0
Product Categories:	Pharmaceutical Raw Materials;100-86-7
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℃
FEMA	2393 \| ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL
refractive index	n20/D 1.514(lit.)
Fp	178 °F
storage temp.	Sealed in dry,Room Temperature
solubility	Chloroform (Sparingly), DMSO (Sparingly, Heated)
form	Oil
pka	15.31±0.29(Predicted)
color	Colourless
Odor	at 100.00 %. clean floral green rose cortex oily rhubarb
Odor Type	floral
Water Solubility	Slightly soluble in water.
JECFA Number	1653
BRN	1855608
InChIKey	RIWRBSMFKVOJMN-UHFFFAOYSA-N
LogP	1.87 at 25℃
CAS DataBase Reference	100-86-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzeneethanol, «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
toxicity	The 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

2-Methyl-1-phenyl-2-propanol Usage And Synthesis

Chemical Properties	α,α-Dimethylphenethyl alcohol has a fresh, floral odor and bitter taste.
Chemical Properties	Clear colorless liquid or low melting solid
Chemical Properties	2-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.
Occurrence	Reported found in cocoa.
Uses	2-Methyl-1-phenyl-2-propanol was used in the preparation of 2-methyl-1-phenyl-2-propyl bromide.
Uses	2-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.
Preparation	From 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 Explosibility	Notclassified
Safety Profile	Moderately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

2-Methyl-1-phenyl-2-propanol Preparation Products And Raw materials

Raw materials	Benzyl bromide-->Benzylmagnesium chloride-->NSC245044-->Benzene, 1,1'-(2,2-dimethyl-1-methylene-1,3-propanediyl)bis--->2-METHYL-1-PHENYL-1-PROPANOL-->(R)-(+)-2-METHYL-1-PHENYL-1-PROPANOL-->BENZALDEHYDE HYDRAZONE-->Phenylacetone-->Isobutylbenzene
Preparation Products	Benzyldimethylcarbinyl butyrate-->Dimethylbenzylcarbinyl acetate-->2-METHYL-3-PHENYL-1-PROPENE-->4-isobutylaniline-->2-METHYL-1-PHENYLPROPENE-->1-CHLOROMETHYL-3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLINE

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