2-Methyl-1-phenyl-2-propanol
Synonym(s):1,1-Dimethyl-2-phenylethyl alcohol;Benzyl dimethyl carbinol
- CAS NO.:100-86-7
- Empirical Formula: C10H14O
- Molecular Weight: 150.22
- MDL number: MFCD00004465
- EINECS: 202-896-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-08 20:21:46
What is 2-Methyl-1-phenyl-2-propanol?
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.
The Uses of 2-Methyl-1-phenyl-2-propanol
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.
The Uses of 2-Methyl-1-phenyl-2-propanol
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.
Synthesis
Dimethyl Benzyl Carbinol is obtained by Grignard synthesis from Benzyl-magnesium chloride and Acetone.
Properties of 2-Methyl-1-phenyl-2-propanol
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 | n |
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 |
Water Solubility | Slightly soluble in water. |
JECFA Number | 1653 |
BRN | 1855608 |
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 information for 2-Methyl-1-phenyl-2-propanol
Signal word | Warning |
Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H301:Acute toxicity,oral H302:Acute toxicity,oral |
Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P321:Specific treatment (see … on this label). P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for 2-Methyl-1-phenyl-2-propanol
InChIKey | RIWRBSMFKVOJMN-UHFFFAOYSA-N |
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