2-METHYL-4-PHENYL-2-BUTANOL

2-METHYL-4-PHENYL-2-BUTANOL
  • CAS No.:103-05-9
Other grades of this product :
2-METHYL-4-PHENYL-2-BUTANOL Basic information
Product Name:2-METHYL-4-PHENYL-2-BUTANOL
Synonyms:1,1-Dimethyl-3-phenylpropanol;1,1-Dimethyl-3-phenylpropyl alcohol;1-Propanol, 1,1-dimethyl-3-phenyl-;2-(2-Phenylethyl)-2-propanol;2-Butanol, 2-methyl-4-phenyl-;2-methyl-4-phenyl-2-butano;2-methyl-4-phenylbutan;BENZYL-TERT-BUTANOL
CAS:103-05-9
MF:C11H16O
MW:164.24
EINECS:203-074-4
Product Categories:Alcohols;C9 to C30;Oxygen Compounds;Building Blocks;C11 to C30+;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds
Mol File:103-05-9.mol
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
Fp >230 °F
pka15.17±0.29(Predicted)
form powder to lump to clear liquid
color White or Colorless to Light yellow
Specific Gravity0.966
Water Solubility 4.569g/L at 20℃
JECFA Number1477
LogP2.41 at 25℃
CAS DataBase Reference103-05-9(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
ToxicityLD50 orl-rat: 2200 mg/kg FCTXAV 12,517,74
MSDS Information
ProviderLanguage
SigmaAldrich English
2-METHYL-4-PHENYL-2-BUTANOL Usage And Synthesis
Description2-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 Properties2-Methyl-4-phenyl-2-butanol has a floral, green, fruity, linalool character and mildly herbaceous odor.
Chemical PropertiesColorless or light yellow liquid
Chemical Properties2-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.
OccurrenceHas apparently not been reported to occur in nature.
Uses2-Phenethyl-2-propanol is a useful reagent in preparation of phenyldimethylsilyl group as a masked hydroxy group.
PreparationBy reaction of phenylethyl magnesium chloride with acetone
Aroma threshold valuesAroma characteristics at 1.0%: clean, fresh, floral reminiscent of rose and violet
Taste threshold valuesTaste 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 ProfileModerately toxic by ingestion andskin contact. When heated to decomposition it emits acridsmoke and irritating fumes.
2-METHYL-4-PHENYL-2-BUTANOL Preparation Products And Raw materials
Raw materialsIsobutylene oxide
Preparation Products1-Naphthalenemethanol-->ISOAMYLBENZENE

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