α-Cyclopentylmandelic acid , 98% , 427-49-6

Synonym(s):
α-Cyclopentylmandelic acid;2-Cyclopentyl-2-hydroxy-2-phenylacetic acid;Glycopyrronium Bromide Impurity J (PhEur)

CAS NO.：427-49-6

Empirical Formula: C13H16O3

Molecular Weight: 220.27

MDL number: MFCD00019296

EINECS: 207-047-8

PRODUCT Properties

• Melting point: 144-150 °C
• Boiling point: 110 °C (0.5 mmHg)
• Density: 1.247±0.06 g/cm3(Predicted)
• storage temp.: Sealed in dry,Room Temperature
• solubility: Chloroform (Slightly), Methanol (Slightly)
• form: Solid
• pka: 3.53±0.25(Predicted)
• color: White to pale brown
• 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
• SMILES: C(C1CCCC1)(C1C=CC=CC=1)(O)C(=O)O
• LogP: 2.770 (est)
• CAS DataBase Reference: 427-49-6(CAS DataBase Reference)

Description and Uses

2-Cyclopentyl-2-hydroxy-2-phenylacetic Acid is an impurity of Glycopyrrolate (G657000), a novel pharmaceutical compound based on PDE IV inhibitors; used in the treatment of respiratory complaints. It is used in the synthesis of muscarinic M3 receptor antagonists.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H315-H318-H335
• Precautionary statements: P280-P305+P351+P338+P310
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: C,Xi
• Risk Statements: 34-41-37/38
• Safety Statements: 45-36/37/39-26-39
• RIDADR: 3261
• WGK Germany: 3
• HazardClass: IRRITANT
• PackingGroup: III
• HS Code: 29163990
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Dam. 1; Skin Irrit. 2; STOT SE 3
• REACH Registrations: Active