o-(Trifluoromethyl)phenethyl alcohol

Basic Information

View in Editor

CAS Number

94022-96-5

Molecular Formula

C9H9F3O

Molecular Weight

190.16 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

−3-−2 °C

Boiling Point

184-186 °C

Density

1.197 g/mL at 25 °C

Refractive Index

n20/D 1.47(lit.)

SMILES

View in Editor

C1=CC=C(C(=C1)CCO)C(F)(F)F

InChI

InChI=1S/C9H9F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4,13H,5-6H2

InChIKey

DBKIEXOOUXQPGC-UHFFFAOYSA-N

LogP

2.2401999999999997

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

155

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Benzeneethanol,2-(trifluoromethyl)-
2-(Trifluoromethyl)phenethyl alcohol
2-[2-(trifluoromethyl)phenyl]ethanol
o-(Trifluoromethyl)phenethyl Alcohol
(2-trifluoromethyl)-phenylethanol
2-(2-(trifluoromethyl)phenyl)ethanol
2-[1-(trifluoromethyl)phenyl]ethanol
2-[2-(trifluoromethyl)phenyl]ethan-1-ol
2-(2-Trifluoromethylphenyl)ethanol
2-(trifluoromethyl)phenethylalcohol
2-trifluoromethylphenethyl alcohol
Benzeneethanol, 2-(trifluoromethyl)-
DBKIEXOOUXQPGC-UHFFFAOYSA-N
2-(4-trifluoro
2-(Trifluoromethyl)benzeneethanol (ACI)
2-[2-(Trifluoromethyl)phenyl]ethan-1-ol
SCHEMBL979275
2-(TRIFLUOROMETHYL)BENZENEETHANOL
2-(2-trifluoromethylphenyl)ethanol
2-(4-trifluoromethyl)phenyl ethanol
STL556652
94022-96-5
FS-4029
2-(Trifluoromethyl)phenethyl alcohol, 97%
Z1020784194
UNII-DU7HKC4H9L
BBL102844
2-(TTRIFLUOROMETHYL)PHENETHYL ALCOHOL
AKOS009156846
MFCD00003540
DTXCID00162778

MDL Number

MFCD00003540

FAQ

What are the physical and chemical properties of o-(Trifluoromethyl)phenethyl alcohol (CAS: 94022-96-5)?

o-(Trifluoromethyl)phenethyl alcohol (CAS: 94022-96-5) is a colorless liquid with a molecular weight of approximately 217.12 g/mol. It has a high boiling point of around 160°C and a low solubility in water. The compound is reactive towards acidic conditions and can undergo esterification and other functional group transformations.

How is o-(Trifluoromethyl)phenethyl alcohol (CAS: 94022-96-5) typically synthesized?

o-(Trifluoromethyl)phenethyl alcohol can be synthesized by reacting trifluoromethylated phenylacetylene with phenethyl alcohol in the presence of a palladium catalyst and a base. The reaction is typically performed under inert conditions to improve yield and selectivity.

What industries use o-(Trifluoromethyl)phenethyl alcohol (CAS: 94022-96-5)?

o-(Trifluoromethyl)phenethyl alcohol (CAS: 94022-96-5) is used in the pharmaceutical industry for the synthesis of various compounds, in the polymer industry for the production of specialized polymers, and in the sensor industry for developing gas-sensing materials. It is also utilized in the semiconductor industry for specific applications.

What precautions should be taken when handling o-(Trifluoromethyl)phenethyl alcohol (CAS: 94022-96-5)?

When handling o-(Trifluoromethyl)phenethyl alcohol (CAS: 94022-96-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, the area should be ventilated and the spill cleaned up using appropriate chemical spill kits, and the incident should be documented and reported to the appropriate safety personnel.