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)

Safety Information

WGK Germany 

2

RTECS 

AJ8375000

HS Code 

2915.39.2000

Toxicity

LD50 orl-rat: 6800 mg/kg FCTXAV 13,681,75

MSDS

• Language:English Provider:SigmaAldrich

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.

2,2,2-Trichloro-1-phenylethyl acetate(90-17-5)Related Product Information

• Butyl acetate
• Methyl 2,2-dimethylphenylacetate
• Ethyl acetate
• Benzoyl peroxide
• Benzyl acetate
• Methyl 4-methylbenzoate
• Trichloroacetic acid
• Benzyl benzoate
• Benzyl chloromethyl ether
• Benzyl chloride
• Cellulose acetate
• Ammonium acetate
• 4-Methylphenylacetic acid
• Methyl 4-(bromomethyl)benzoate
• 2-Methylphenylacetic acid
• SODIUM TRICHLOROACETATE
• Isopropyl acetate
• Vinyl acetate