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

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

WGK Germany 

2

RTECS 

AJ8375000

HS Code 

2915.39.2000

Toxicity

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P233Keep container tightly closed.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304IF INHALED:

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P340Remove victim to fresh air and keep at rest in a position comfortable for breathing.

P362Take off contaminated clothing and wash before reuse.

P403Store in a well-ventilated place.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

2,2,2-Trichloro-1-phenylethyl acetate Chemical Properties,Usage,Production

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.