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3900-93-4

3900-93-4 Structure

3900-93-4 Structure
IdentificationMore
[Name]

ALPHA-PHENYLCYCLOPENTANEACETIC ACID
[CAS]

3900-93-4
[Synonyms]

2-CYCLOPENTYL-2-PHENYLACETIC ACID
A-CYCLOPENTYLPHENYLACETIC ACID
ALPHA-CYCLOPENTYLPHENYLACETIC ACID
ALPHA-PHENYLCYCLOPENTANEACETIC ACID
ALPHA-PHENYLCYCLOPENTYLACETIC ACID
A-PHENYLCYCLOPENTANEACETIC ACID
CYCLOPENTYL-2-PHENYLETHANOIC ACID
CYCLOPENTYLPHENYLACETIC ACID
Acetic acid, cyclopentylphenyl-
Acetic acid, cyclopentyphenyl-
alpha-cyclopentyl-benzeneaceticaci
Cyclopentaneacetic acid, alpha-phenyl-
CYCLOPENTYLPHENYLACETIC ACIDCRYSTALLINE
à-cyclopentylphenylacetic acid
à-phenylcyclopentylacetic acid
ɑ-Phenylcyclopentylacetic acid, 98%
2-Phenyl-2-cyclopentylacetic acid-
α-Cyclopentylbenzeneacetic acid
α-Phenylcyclopentaneacetic acid
^a-Phenylcyclopentylacetic acid, 98%
[EINECS(EC#)]

223-454-3
[Molecular Formula]

C13H16O2
[MDL Number]

MFCD00001379
[Molecular Weight]

204.26
[MOL File]

3900-93-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to light beige crystalline powder
[Melting point ]

98-100 °C(lit.)
[Boiling point ]

302.76°C (rough estimate)
[density ]

1.0404 (rough estimate)
[refractive index ]

1.5180 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

methanol: soluble50mg/mL, clear, colorless
[form ]

powder to crystal
[pka]

4.36±0.10(Predicted)
[color ]

White to Light yellow to Light orange
[Water Solubility ]

Insoluble in water.
[BRN ]

1956835
[InChI]

1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)
[InChIKey]

BCJIDGDYYYBNNB-UHFFFAOYSA-N
[SMILES]

OC(=O)C(C1CCCC1)c2ccccc2
[CAS DataBase Reference]

3900-93-4(CAS DataBase Reference)
[EPA Substance Registry System]

Benzeneacetic acid, .alpha.-cyclopentyl- (3900-93-4)
Safety DataBack Directory
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29163900
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white to light beige crystalline powder
[Uses]

Cyclopentylphenylacetic acid was used in the synthesis of:
  • 1-cyclopentyl-l-phenyl-2-(p-alkoxyphenyl)ethylenes
  • soft ester analogs of anticholinergics
Spectrum DetailBack Directory
[Spectrum Detail]

ALPHA-PHENYLCYCLOPENTANEACETIC ACID(3900-93-4)1HNMR
ALPHA-PHENYLCYCLOPENTANEACETIC ACID(3900-93-4)13CNMR
ALPHA-PHENYLCYCLOPENTANEACETIC ACID(3900-93-4)IR1
ALPHA-PHENYLCYCLOPENTANEACETIC ACID(3900-93-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha-Phenylcyclopentaneacetic acid, 98%(3900-93-4)
[Alfa Aesar]

alpha-Phenylcyclopentylacetic acid, 98%(3900-93-4)
[Sigma Aldrich]

3900-93-4(sigmaaldrich)
[TCI AMERICA]

alpha-Cyclopentylphenylacetic Acid,>98.0%(T)(3900-93-4)
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