Cyclopentyl(hydroxy)phenylacetic acid

Basic Information

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CAS Number

427-49-6

Molecular Formula

C13H16O3

Molecular Weight

220.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

146-151 °C

Boiling Point

395.6°C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

207.2℃

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O

InChI

InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)

InChIKey

WFLUEQCOAQCQLP-UHFFFAOYSA-N

LogP

2.149

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

252

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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

BB 0241799
2-cyclopentyl-2-hydroxy-2-phenyl acetic acid
NSC 96637
Cyclopentylphenylglycolic acid; 2-Cyclopentyl-2-hydroxy-2-phenylacetic acid
Cyclopentylhydroxy-phenylacetic acid
SR-01000322777-1
cyclopentylmandelic acid
SMR000034062
Oprea1_794057
CHEMBL1602552
racemic cyclopentylmandelic acid
CS-W014250
W-106263
Z2044818613
AM20040451
(-)-cyclopentylmandelic acid
Cyclopentyl Mandelic Acid
2-Cyclopentyl mandelic acid
SCHEMBL415801
WFLUEQCOAQCQLP-UHFFFAOYSA-N
.ALPHA.-CYCLOPENTYLMANDELIC ACID, (+/-)-
427-49-6
SY011589
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-
Mandelic acid, alpha-cyclopentyl
FT-0622135
HMS2321I07
UNII-XY6HY5ZM28
GLYCOPYRRONIUM BROMIDE IMPURITY J [EP IMPURITY]
AC-16192

MDL Number

MFCD00019296

Customs Code

2918199090

FAQ

What is Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6)?

Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6) is a chemical compound with the formula C13H16O3. It is a white crystalline solid, known for its hydroxy and cyclopentyl functional groups. This compound exhibits moderate solubility in organic solvents and is commonly used as an intermediate in pharmaceutical and chemical synthesis processes.

What are the main uses of Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6)?

Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6) is primarily utilized in pharmaceutical research for developing drugs targeting neurological disorders. It serves as a key intermediate in the synthesis of various compounds, including potential antidepressants and antipsychotics. Additionally, it finds applications in organic chemistry for creating complex molecules and in industrial processes requiring functionalized intermediates.

Is Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6) safe?

Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6) is generally considered safe when handled properly. However, it may cause skin and eye irritation, necessitating the use of protective gloves, goggles, and a well-ventilated workspace. Safety data sheets (SDS) recommend avoiding prolonged exposure and following standard chemical safety protocols to ensure minimal risk during handling and use.

How should Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6) be stored?

Cyclopentyl(hydroxy)phenylacetic acid (CAS: 427-49-6) should be stored in a cool, dry place, away from light and moisture. It is best kept in a sealed container made of glass or HDPE to maintain stability. Storage conditions should be controlled to prevent degradation, typically at temperatures below 25°C and in an inert atmosphere to ensure long-term preservation.