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| | 2-Methyl-1-phenyl-2-propanol Basic information |
| Product Name: | 2-Methyl-1-phenyl-2-propanol | | Synonyms: | 1-PHENYL-2-METHYL-2-PROPANOL;2-METHYL-1-PHENYL-2-PROPANOL;2-HYDROXY-2-METHYL-1-PHENYL PROPANE;1,1-DIMETHYL-2-PHENYLETHANOL;A,A-DIMETHYLPHENETHYL ALCOHOL;ALPHA,ALPHA-DIMETHYL PHENETHYL ALCOHOL;ALPHA,ALPHA-DIMETHYL-BETA-PHENYLETHYL ALCOHOL;PHENYL-TERT-BUTANOL | | CAS: | 100-86-7 | | MF: | C10H14O | | MW: | 150.22 | | EINECS: | 202-896-0 | | Product Categories: | Pharmaceutical Raw Materials;100-86-7 | | Mol File: | 100-86-7.mol |  |
| | 2-Methyl-1-phenyl-2-propanol Chemical Properties |
| 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 | n20/D 1.514(lit.) | | FEMA | 2393 | ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL | | Fp | 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 | | Odor Type | floral | | Water Solubility | Slightly soluble in water. | | JECFA Number | 1653 | | BRN | 1855608 | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 | | InChIKey | RIWRBSMFKVOJMN-UHFFFAOYSA-N | | SMILES | CC(C)(O)Cc1ccccc1 | | LogP | 1.87 at 25℃ | | 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) |
| Hazard Codes | Xn | | Risk Statements | 22 | | Safety Statements | 23-24/25 | | WGK Germany | 2 | | RTECS | SG8050000 | | TSCA | TSCA listed | | HS Code | 29062900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral | | toxicity | The acute oral LD50 in rats was reported as 1.35 g/kg (1.02-1.68 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Moreno, 1973). |
| | 2-Methyl-1-phenyl-2-propanol Usage And Synthesis |
| 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. | | Uses | 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. | | Uses | 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.
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| | 2-Methyl-1-phenyl-2-propanol Preparation Products And Raw materials |
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