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
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) |
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
2,2,2-Trichloro-1-phenylethyl acetate manufacturer
Zenith Aromas
Jk Chemicals
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