| Identification | More | [Name]
alpha-Cyclopentylmandelic acid | [CAS]
427-49-6 | [Synonyms]
ALPHA-CYCLOPENTYLMANDELIC ACID
CM ACID
CYCLOPENTYL-HYDROXY-PHENYL-ACETIC ACID
CYCLOPENTYL MANDELIC ACID
CYCLOPENTYLPHENYLGLYCOLIC ACID
TIMTEC-BB SBB010054
a-Cyclo Pentyl Mandelic acid
2-CYCLOPENTYL MANDELIC ACID
2-Cyclopentyl-2-hydroxy-2-phenylacetic acid
2-hydroxy-2-cyclopentyl-2-phenylacetic acid
α-Cyclopentyl-α-hydroxybenzeneacetic acid | [EINECS(EC#)]
207-047-8 | [Molecular Formula]
C13H16O3 | [MDL Number]
MFCD00019296 | [Molecular Weight]
220.26 | [MOL File]
427-49-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to beige powder | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3261 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to beige powder | [Uses]
intermediate for Glycopyrronium Bromide, Oxyphencyclimine HCl, Oxypyrronium Bromide | [Research]
Resolving racemic alpha-cyclopentylmandelic acid by a chemical resolution method by using L-Tyrosine methyl ester and (R)-alpha-phenylethylamine as resolution reagents to respectively prepare (S)-alpha-cyclopentylmandelic acid and (R)-alpha-cyclopentylmandelic acid; and carrying out esterification reaction to respectively obtain chiral intermediates (S)/(R)-alpha-cyclopentylmethyl mandelate. Multistage enantioselective liquid-liquid extraction (ELLE) of α--cyclopentyl-mandelic acid (α-CPMA) enantiomers using hydroxyethyl-β-cyclodextrin (HE-β-CD) as extractant was studied in a cascade of centrifugal contactor separators (CCSs)[1]. | [References]
[1] Panliang Zhang. “Study on enantioseparation of α-cyclopentyl-mandelic acid enantiomers using continuous liquid-liquid extraction in centrifugal contactor separators: Experiments and modeling.” Chemical Engineering and Processing - Process Intensification 107 (2016): Pages 168-176.
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