| 2,2,2-Trichloro-1-phenylethyl acetate Basic information |
| Product Name: | 2,2,2-Trichloro-1-phenylethyl acetate |
| Synonyms: | -(Trichloromethyl)benzylacetate;ROSE CRYSTALS;ROSALIN;TRICHLOROMETHYL PHENYL CARBINYL ACETATE;ALPHA-(TRICHLOROMETHYL)BENZYL ACETATE;rose acetate;Acetic acid, alpha-(trichloromethyl)benzyl ester;aceticacid,alpha-(trichloromethyl)benzylester |
| CAS: | 90-17-5 |
| MF: | C10H9Cl3O2 |
| MW: | 267.53 |
| EINECS: | 201-972-0 |
| Product Categories: | Alphabetical Listings;Essential OilsFlavors and Fragrances;Organics;Flavors and Fragrances;Q-Z |
| Mol File: | 90-17-5.mol |
| 2,2,2-Trichloro-1-phenylethyl acetate Chemical Properties |
| Melting point | 86-89 °C(lit.) |
| Boiling point | 282°C(lit.) |
| density | 1.3807 (estimate) |
| vapor pressure | 0.13Pa at 25℃ |
| solubility | 28.72g/L in organic solvents at 20 ℃ |
| form | powder to crystal |
| pka | 0.003[at 20 ℃] |
| color | White to Almost white |
| Water Solubility | 16.56mg/L at 25℃ |
| Stability: | Stable. Incompatible with strong oxidizing agents. |
| LogP | 3.535 at 25℃ |
| CAS DataBase Reference | 90-17-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenemethanol, «alpha»-(trichloromethyl)-, acetate(90-17-5) |
| EPA Substance Registry System | Benzenemethanol, .alpha.-(trichloromethyl)-, acetate (90-17-5) |
| Safety Information |
| WGK Germany | 2 |
| RTECS | AJ8375000 |
| Toxicity | LD50 orl-rat: 6800 mg/kg FCTXAV 13,681,75 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| 2,2,2-Trichloro-1-phenylethyl acetate Usage And Synthesis |
| Chemical Properties | white powder |
| Chemical Properties | 2,2,2-Trichloro-1-phenylethyl acetate forms white crystals (mp 88 °C) and has a weak, very natural, lasting rose odor. The ester is prepared from ??-trichloromethylbenzyl alcohol, for example, by reaction with acetic anhydride. The alcohol can be prepared by one of the following methods: 1) Addition of trichloroacetaldehyde (chloral) to benzene in the presence of aluminum chloride. 2) Reaction of benzaldehyde with chloroform in the presence of potassium hydroxide. ??-Trichloromethylbenzyl acetate is a stable rose fragrancewith excellent fixative properties. It is preferentially used in soaps, powders, and bath salts. |
| Occurrence | Has apparently not been reported to occur in nature. |
| Uses | Perfumes, fixative for essential oils and perfumes. |
| Preparation | By the reaction of benzene and chloral, in the presence of a catalyst, followed by acetylation. |
| Flammability and Explosibility | Nonflammable |
| Trade name | Rosalin (Yinghai) |
| Safety Profile | Mildly toxic by ingestion. A skinirritant. When heated to decomposition it emits toxicfumes of Clí. |
| 2,2,2-Trichloro-1-phenylethyl acetate Preparation Products And Raw materials |
| Raw materials | Potassium hydroxide-->Benzene-->Aluminum chloride-->Acetyl chloride-->Chloral-->BENZAL DIACETATE-->2,2,2-Trichloro-1-phenylethanol-->Benzaldehyde-->Chloroform-->Acetic anhydride-->Acetic acid |
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