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

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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:
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Mol File:
90-17-5.mol
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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
Odor
at 10.00 % in dipropylene glycol. heavy deep rose floral powdery balsamic soapy
Odor Type
floral
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)
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Safety Information

WGK Germany 
2
RTECS 
AJ8375000
HS Code 
2915.39.2000
Toxicity
LD50 orl-rat: 6800 mg/kg FCTXAV 13,681,75

MSDS

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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.

Definition

ChEBI: Alpha-Trichloromethylbenzyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

Flammability and Explosibility

Non flammable

Trade name

Rosalin (Yinghai)

Safety Profile

Mildly toxic by ingestion. A skinirritant. When heated to decomposition it emits toxicfumes of Clí.

Solubility in organics

Insoluble in water, somewhat soluble in alcohol, soluble in most perfume oils. The volubility in cold alcohol is sufficient for perfume composition purposes, but not to have a concentrated solution of the material on hand.

2,2,2-Trichloro-1-phenylethyl acetate Preparation Products And Raw materials

Raw materials

2,2,2-Trichloro-1-phenylethyl acetateSupplier

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