2-METHYL-4-PHENYL-2-BUTANOL Chemical Properties

Melting point:

31-33 °C(lit.)

Boiling point:

144 °C85 mm Hg(lit.)

Density 

0.966 g/mL at 25 °C(lit.)

vapor pressure 

4.1hPa at 20℃

refractive index 

n20/D 1.509(lit.)

FEMA 

3629 | 2-METHYL-4-PHENYL-2-BUTANOL

Flash point:

>230 °F

form 

powder to lump to clear liquid

pka

15.17±0.29(Predicted)

color 

White or Colorless to Light yellow

Specific Gravity

0.966

Odor

at 100.00 %. clean fresh green rose linalool lily violet

Odor Type

floral

Water Solubility 

4.569g/L at 20℃

JECFA Number

1477

LogP

2.41 at 25℃

CAS DataBase Reference

103-05-9(CAS DataBase Reference)

EPA Substance Registry System

.alpha.,.alpha.-Dimethylbenzenepropanol (103-05-9)

Safety Information

Hazard Codes 

Xi

Risk Statements 

41

Safety Statements 

26-36/37/39

WGK Germany 

2

RTECS 

EL5785000

HS Code 

29062990

Toxicity

LD50 orl-rat: 2200 mg/kg FCTXAV 12,517,74

MSDS

• Language:English Provider:SigmaAldrich

2-METHYL-4-PHENYL-2-BUTANOL Usage And Synthesis

Description

2-Methyl-4-phenyl-2-butanol has a floral green, fruity, linalool character with a mildly herbaceous odor. May be prepared by reaction of phenylethyl magnesium chloride with acetone.

Chemical Properties

2-Methyl-4-phenyl-2-butanol has a floral, green, fruity, linalool character and mildly herbaceous odor.

Chemical Properties

Colorless or light yellow liquid

Chemical Properties

2-METHYL-4-PHENYL-2-BUTANOL is a colorless liquid with a dry, floral, lily-like odor. It has been identified in cocoa aroma and is prepared by a Grignard reaction of benzylacetone and methyl magnesium chloride. It is used in blossom compositions.

Occurrence

Has apparently not been reported to occur in nature.

Uses

2-Phenethyl-2-propanol is a useful reagent in preparation of phenyldimethylsilyl group as a masked hydroxy group.

Preparation

By reaction of phenylethyl magnesium chloride with acetone

Aroma threshold values

Aroma characteristics at 1.0%: clean, fresh, floral reminiscent of rose and violet

Taste threshold values

Taste characteristics at 10–40 ppm: floral, rosy, oily with a slight fruity nuance

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 4922, 1995 DOI: 10.1021/jo00120a042

Safety Profile

Moderately toxic by ingestion andskin contact. When heated to decomposition it emits acridsmoke and irritating fumes.

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