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706418

Sigma-Aldrich

α-Cyclohexylmandelic acid

97%

Synonym(s):

2-Cyclohexyl-2-hydroxy-2-phenylacetic acid

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About This Item

Empirical Formula (Hill Notation):
C14H18O3
CAS Number:
4335-77-7
Molecular Weight:
234.29
EC Number:
224-380-4
MDL number:
MFCD00194543
UNSPSC Code:
12352100
PubChem Substance ID:
329762637
NACRES:
NA.22

assay

97%

form

powder

mp

170-175 °C

SMILES string

OC(=O)C(O)(C1CCCCC1)c2ccccc2

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)

InChI key

YTRNSQPXEDGWMR-UHFFFAOYSA-N

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pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Tomohiro Yoshida et al.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 111, 167-176 (2017-10-03)
Carboxylesterase (CES) and arylacetamide deacetylase (AADAC) are the major enzymes responsible for the hydrolysis of various clinical drugs. Our recent study demonstrated that the identity of the responsible hydrolase can be roughly surmised based on the chemical structures of compounds

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