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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

functional group

carboxylic acid
hydroxyl
phenyl

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

Signal Word

Danger

Hazard Statements

H315,H318,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB2446V
MKBB2446

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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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