| Identification | More | [Name]
2,2,2-Trichloro-1-phenylethyl acetate | [CAS]
90-17-5 | [Synonyms]
2,2,2-TRICHLORO-1-PHENYLETHYLACETATE
A,A,A-TRICHLOROMETHYLPHENYLCARBINYL ACETATE
ALPHA-(TRICHLOROMETHYL)BENZYL ACETATE
A-(TRICHLOROMETHYL)BENZYL ACETATE
ROSALIN
ROSE CRYSTALS
TRICHLOROMETHYL PHENYL CARBINYL ACETATE
-(Trichloromethyl)benzylacetate
Acetic acid, alpha-(trichloromethyl)benzyl ester
aceticacid,alpha-(trichloromethyl)benzylester
alpha-(Trichloromethyl)-, acetate
alpha-(trichloromethyl)-benzenemethanoacetate
alpha-(trichloromethyl)benzenemethanolacetate
alpha-(trichloromethyl)-benzylalcohoacetate
alpha-(trichloromethyl)benzylalcoholacetate
Benzyl alcohol, alpha-(trichloromethyl)-, acetate
Benzylalcohol,.alpha.-(trichloromethyl)-,acetate
Rosacetol
Rosaliu
Rose Ester | [EINECS(EC#)]
201-972-0 | [Molecular Formula]
C10H9Cl3O2 | [MDL Number]
MFCD00000804 | [Molecular Weight]
267.54 | [MOL File]
90-17-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white powder | [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 | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [Odor Type]
floral | [Water Solubility ]
16.56mg/L at 25℃ | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3 | [InChIKey]
JKRWZLOCPLZZEI-UHFFFAOYSA-N | [SMILES]
CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl | [LogP]
3.535 at 25℃ | [Uses]
Perfumes, fixative for essential oils and perfumes. | [CAS DataBase Reference]
90-17-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzenemethanol, «alpha»-(trichloromethyl)-, acetate(90-17-5) | [EPA Substance Registry System]
90-17-5(EPA Substance) |
| Hazard Information | Back Directory | [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. | [Chemical Properties]
white powder | [Occurrence]
Has apparently not been reported to occur in nature. | [Definition]
ChEBI: Alpha-Trichloromethylbenzyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol. | [Preparation]
By the reaction of benzene and chloral, in the presence of a catalyst, followed by acetylation. | [Flammability and Explosibility]
Nonflammable | [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. |
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