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

Basic Information

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CAS Number

90-17-5

Molecular Formula

C10H9Cl3O2

Molecular Weight

267.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

86.0 to 90.0 deg-C

Boiling Point

282°C

Density

1.3807 (estimate)

Flash Point

145.1 °C

SMILES

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CC(=O)OC(C(Cl)(Cl)Cl)c1ccccc1

InChI

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

LogP

3.6610000000000023

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

219

Safety Information

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GHS Hazard Pictograms

H316

Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

2,2,2-Trichloro-1-phenylethyl acetate
a-(Trichloromethyl)-benzyl acetate
Rosalin
alpha-(Trichloromethyl)benzyl Acetate
α-(Trichloromethyl)benzyl Acetate
Acetic Acid α-(Trichloromethyl)benzyl Ester
Acetic Acid 2,2,2-Trichloro-1-phenylethyl Ester
Rosaline
Rosacetol
Rose crystals
Trichloromethylphenylcarbinyl acetate
Trichlor phenyl methyl carbinyl acetate
Trichloromethyl phenyl carbinyl acetate
.alpha.-(Trichloromethyl)benzyl acetate
Benzenemethanol, .alpha.-(trichloromethyl)-, acetate
alpha-(Trichloromethyl)benzyl alcohol acetate
alpha-(Trichloromethyl)benzenemethanol acetate
alpha-trichloromethylbenzy
2,2,2-Trichloro-1-phenylethyl Acetate
alpha-(Trichloromethyl)benzyl acetate
Benzenemethanol, α-(trichloromethyl)-, acetate (9CI)
Benzyl alcohol, α-(trichloromethyl)-, acetate (6CI, 7CI, 8CI)
(Trichloromethyl)phenylcarbinyl acetate
(±)-α-(Trichloromethyl)benzyl acetate
2-Acetoxy-1,1,1-trichloro-2-phenylethane
Crystal rose
NSC 165582
Rosacetate
Rosephenone
Rosetone
Rosinol Cryst

MDL Number

MFCD00000804

FAQ

What regulatory guidelines apply to 2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5)?

2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5) is classified under GHS as a hazardous substance due to its toxic and flammable properties. It must comply with REACH regulations, ensuring proper safety data sheets (SDS) are provided and risk assessments are conducted. FDA and EPA regulations govern its use in food and environmental contexts, requiring adherence to specific limits and handling procedures.

Are there alternatives to 2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5) in synthesis?

Alternatives to 2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5) include other esters such as benzyl acetate or ethyl acetate, which can serve similar functional needs in organic synthesis. Isomers like 1-chloro-2-phenylethyl acetate may also be considered. Substitutes might include commercially available compounds with similar functional groups or structural analogs.

What is the market or research trend for 2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5)?

The market for 2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5) is niche but growing due to its applications in fragrances, insecticides, and industrial solvents. Research trends focus on safer alternatives and the development of biodegradable compounds. Price trends show fluctuation depending on raw materials and regulatory changes. Emerging studies explore its potential in alternative drug formulations and polymer synthesis.

How should waste containing 2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5) be handled?

Waste containing 2,2,2-Trichloro-1-phenylethyl acetate (CAS: 90-17-5) should be collected in sealed, leak-proof containers and disposed of through professional waste disposal services. Incineration is a common method, but proper temperature control and pollution control measures are essential. Environmental protection precautions include monitoring for leaks and ensuring the waste is not released into the environment. Compliance with local environmental regulations is mandatory.