α-Cyclohexyl-DL-mandelic Acid , >98.0%(HPLC)(T) , 4335-77-7

Synonym(s):
α-Cyclohexylmandelic acid;2-Cyclohexyl-2-hydroxy-2-phenylacetic acid;Phenylcyclohexylglycolic acid

CAS NO.：4335-77-7

Empirical Formula: C14H18O3

Molecular Weight: 234.29

MDL number: MFCD00194543

EINECS: 224-380-4

PRODUCT Properties

• Melting point: 163 °C
• Boiling point: 135℃/3mm
• Density: 1.206±0.06 g/cm3(Predicted)
• RTECS: GV2770000
• storage temp.: -20°C Freezer
• solubility: Chloroform (Slightly), Methanol (Sparingly)
• form: Solid
• pka: 3.49±0.25(Predicted)
• color: White to pale brown
• InChI: 1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
• InChIKey: YTRNSQPXEDGWMR-UHFFFAOYSA-N
• SMILES: OC(=O)C(O)(C1CCCCC1)c2ccccc2
• CAS DataBase Reference: 4335-77-7(CAS DataBase Reference)

Description and Uses

This indole alkaloid occurs in the leaves of Lespedeza bicolor var. japonica and, when pure, is a colourless oil. Its MeOH solution, the ultraviolet spectrum exhibits absorption maxima at 223.4, 279 and 291 mJi. The crystalline hydrochloride has m.p. 163-4°C (dec.); the picrate forms long, yellow needles from MeOH, m.p. 160-2°C (dec.) and the styphnate, also yellow needles, has m.p. 170°C (dec.). The structure has been established as 3-(dimethylaminoethyl)-1-methoxyindole.

intermediate for Oxybutynin HCl, Oxyphenonium Bromide

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H315-H318-H335
• Precautionary statements: P261-P264-P280-P280-P304+P340+P312-P305+P351+P338+P310
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi
• Risk Statements: 37/38-41
• Safety Statements: 26-39
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29181990
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Dam. 1; Skin Irrit. 2; STOT SE 3