2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid

Basic Information

View in Editor

CAS Number

68767-14-6

Molecular Formula

C15H18O3

Molecular Weight

246.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

111°C

Boiling Point

417.9°C at 760 mmHg

Density

1.1800

Flash Point

220

Refractive Index

1.57

SMILES

View in Editor

CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O

InChI

InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)

InChIKey

YMBXTVYHTMGZDW-UHFFFAOYSA-N

LogP

2.7864000000000013

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

316

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

68767-14-6
DB09212
Loxoprofeno
2-(4-((2-OXOCYCLOPENTAN-1-YL)METHYL)PHENYL)PROPIONIC ACID
DTXSID1045164
Loxoprofen, solid
SCHEMBL24423
Loxoprofene [French]
CS-600; CS600; CS 600
Loxoprofenum [Latin]
NCGC00094037-02
Loxoprofen sodium hydrate
AKOS015906359
MFCD00864331
HY-B0578
AC-8108
L0244
EN300-249698
Loxoprofen (INN)
(+-)-((2-oxocyclopentyl)methyl)hydratropic acid
alpha-Methyl-4-[(2-oxocyclopentyl)methyl]benzeneacetic acid
Tox21_500677
Q-201324
SY113439
NCGC00015594-03
2-[4-(2-Oxocyclopentan-1-ylmethyl)phenyl]-propionic Acid
AC-15776
Koloxo
UNII-3583H0GZAP
Loxoprofen
SDCCGSBI-0050656.P002

MDL Number

MFCD00864331

Customs Code

2918300090

FAQ

What is 2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6)?

2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6) is an organic compound characterized by a carboxylic acid group attached to a branched carbon chain. It contains a cyclopentyl ring with an oxo group and a methylphenyl substituent. This compound is known for its structural complexity and is often used in chemical research for its potential biological activity. It exhibits moderate solubility in organic solvents and is typically a solid at room temperature.

What are the main uses of 2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6)?

2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6) is primarily used in pharmaceutical research for the development of potential drug candidates. It is also employed in organic synthesis as an intermediate. Additionally, it can be used in industrial applications for the production of specialty chemicals and in research settings for studying molecular interactions and biological effects.

Is 2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6) safe?

2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6) is generally considered safe when handled properly. However, it is important to follow standard safety protocols, such as wearing personal protective equipment (PPE) and ensuring proper ventilation. As with many organic compounds, it may pose risks if ingested or inhaled, so adherence to safety guidelines is essential in laboratory and industrial settings.

How should 2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6) be stored?

2-{4-[(2-Oxocyclopentyl)methyl]phenyl}propanoic acid (CAS: 68767-14-6) should be stored in a cool, dry, and well-ventilated area away from light. It is best kept in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability. Avoid exposure to incompatible substances to ensure long-term safety and effectiveness.