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2,2,2-Trichloro-1-phenylethyl acetate

2,2,2-Trichloro-1-phenylethyl acetate Basic information
Product Name:2,2,2-Trichloro-1-phenylethyl acetate
Synonyms:-(Trichloromethyl)benzylacetate;TRICHLOROMETHYL PHENYL CARBINYL ACETATE;ALPHA-(TRICHLOROMETHYL)BENZYL ACETATE;Acetic acid, alpha-(trichloromethyl)benzyl ester;aceticacid,alpha-(trichloromethyl)benzylester;alpha-(Trichloromethyl)-, acetate;alpha-(trichloromethyl)-benzenemethanoacetate;alpha-(trichloromethyl)benzenemethanolacetate
CAS:90-17-5
MF:C10H9Cl3O2
MW:267.53
EINECS:201-972-0
Product Categories:Alphabetical Listings;Essential OilsFlavors and Fragrances;Flavors and Fragrances;Q-Z;Organics
Mol File:90-17-5.mol
2,2,2-Trichloro-1-phenylethyl acetate Structure
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 ℃
pka0.003[at 20 ℃]
form powder to crystal
color White to Almost white
Odorat 10.00 % in dipropylene glycol. heavy deep rose floral powdery balsamic soapy
Odor Typefloral
Water Solubility 16.56mg/L at 25℃
Stability:Stable. Incompatible with strong oxidizing agents.
LogP3.535 at 25℃
CAS DataBase Reference90-17-5(CAS DataBase Reference)
NIST Chemistry ReferenceBenzenemethanol, «alpha»-(trichloromethyl)-, acetate(90-17-5)
EPA Substance Registry SystemBenzenemethanol, .alpha.-(trichloromethyl)-, acetate (90-17-5)
Safety Information
WGK Germany 2
RTECS AJ8375000
HS Code 2915.39.2000
ToxicityLD50 orl-rat: 6800 mg/kg FCTXAV 13,681,75
MSDS Information
ProviderLanguage
SigmaAldrich English
2,2,2-Trichloro-1-phenylethyl acetate Usage And Synthesis
Chemical Propertieswhite powder
Chemical Properties2,2,2-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.



OccurrenceHas apparently not been reported to occur in nature.
UsesPerfumes, fixative for essential oils and perfumes.
PreparationBy the reaction of benzene and chloral, in the presence of a catalyst, followed by acetylation.
DefinitionChEBI: Alpha-Trichloromethylbenzyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.
Flammability and ExplosibilityNonflammable
Trade nameRosalin (Yinghai)
Safety ProfileMildly 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 materialsPotassium hydroxide-->Benzene-->Aluminum chloride-->Acetyl chloride-->Chloral-->BENZAL DIACETATE-->2,2,2-Trichloro-1-phenylethanol-->Benzaldehyde-->Chloroform-->Acetic anhydride-->Acetic acid
Ethyl isothiocyanate Pinacol vinylboronate 1-ETHYL-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID Dimethylbenzylcarbinyl acetate Benzylchloromethyl ether ROSONE Benzyltrimethylammonium hydroxide Phenylacetone 4-Methylphenylacetic acid Triclopyr 2-Methylphenylacetic acid Methyl p-tert-butylphenylacetate Methyl 4-methylbenzoate ACETATE Ethyl acetate Methyl 2,2-dimethylphenylacetate Benzyl 2,2,2-Trichloro-1-phenylethyl acetate
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