706418
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:
Molecular Weight:
234.29
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
224-380-4
MDL number:
Assay:
97%
Form:
powder
InChI key
YTRNSQPXEDGWMR-UHFFFAOYSA-N
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)
SMILES string
OC(=O)C(O)(C1CCCCC1)c2ccccc2
assay
97%
form
powder
mp
170-175 °C
functional group
carboxylic acid, hydroxyl, phenyl
Quality Level
Related Categories
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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