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HomeProduct name list2,2,2-Trichloro-1-phenylethyl acetate

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

  • CAS NO.:90-17-5
  • Empirical Formula: C10H9Cl3O2
  • Molecular Weight: 267.53
  • MDL number: MFCD00000804
  • EINECS: 201-972-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:15:32
2,2,2-Trichloro-1-phenylethyl acetate Structural

What is 2,2,2-Trichloro-1-phenylethyl acetate?

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.

The Uses of 2,2,2-Trichloro-1-phenylethyl acetate

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.

Properties of 2,2,2-Trichloro-1-phenylethyl acetate

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
Water Solubility  16.56mg/L at 25℃
Stability: Stable. Incompatible with strong oxidizing agents.
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 for 2,2,2-Trichloro-1-phenylethyl acetate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P233:Keep container tightly closed.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304:IF INHALED:
P312:Call a POISON CENTER or doctor/physician if you feel unwell.
P321:Specific treatment (see … on this label).
P330:Rinse mouth.
P340:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P362:Take off contaminated clothing and wash before reuse.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P403:Store in a well-ventilated place.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

Computed Descriptors for 2,2,2-Trichloro-1-phenylethyl acetate

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