2-METHYL-4-PHENYL-2-BUTANOL

CAS NO.：103-05-9
Empirical Formula: C11H16O
Molecular Weight: 164.24
MDL number: MFCD00004472
EINECS: 203-074-4
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-22 14:21:17

What is 2-METHYL-4-PHENYL-2-BUTANOL?

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

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.

Chemical properties

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

Occurrence

Has apparently not been reported to occur in nature.

The Uses of 2-METHYL-4-PHENYL-2-BUTANOL

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.

Properties of 2-METHYL-4-PHENYL-2-BUTANOL

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℃
FEMA	3629 \| 2-METHYL-4-PHENYL-2-BUTANOL
refractive index	n20/D 1.509(lit.)
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
Water Solubility	4.569g/L at 20℃
JECFA Number	1477
CAS DataBase Reference	103-05-9(CAS DataBase Reference)
EPA Substance Registry System	.alpha.,.alpha.-Dimethylbenzenepropanol (103-05-9)

Safety information for 2-METHYL-4-PHENYL-2-BUTANOL

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05
GHS Hazard Statements	H318:Serious eye damage/eye irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.