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HomeProduct name list2-METHYL-4-PHENYL-2-BUTANOL

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: 2024-11-12 16:52:33
2-METHYL-4-PHENYL-2-BUTANOL Structural

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)
ghs
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.

Computed Descriptors for 2-METHYL-4-PHENYL-2-BUTANOL

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