2-Methyl-1-phenyl-2-propanol Property

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

Flash point:

178 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Sparingly), DMSO (Sparingly, Heated)

pka

15.31±0.29(Predicted)

form 

Oil

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

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).

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H301Toxic if swalloed

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P321Specific treatment (see … on this label).

P405Store locked up.

P501Dispose of contents/container to..…

2-Methyl-1-phenyl-2-propanol Chemical Properties,Usage,Production

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.

Chemical Properties

α,α-Dimethylphenethyl alcohol has a fresh, floral odor and bitter taste.

Occurrence

Reported found in cocoa.

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.

Uses

2-Methyl-1-phenyl-2-propanol was used in the preparation of 2-methyl-1-phenyl-2-propyl bromide.

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

Not classified

Safety Profile

Moderately toxic by ingestion. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.