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 |
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