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756377

Sigma-Aldrich

3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid

97%

Synonym(s):

2-(Acetyloxy)-β,β,4,6-tetramethylbenzenepropanoic acid, 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutanoic acid

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About This Item

Empirical Formula (Hill Notation):
C15H20O4
CAS Number:
134098-68-3
Molecular Weight:
264.32
MDL number:
MFCD03414459
UNSPSC Code:
12352108
PubChem Substance ID:
329766537
NACRES:
NA.22

Quality Level

100

assay

97%

form

solid

mp

113-118 °C

functional group

carboxylic acid
ester

storage temp.

2-8°C

SMILES string

CC(=O)Oc1cc(C)cc(C)c1C(C)(C)CC(O)=O

InChI

1S/C15H20O4/c1-9-6-10(2)14(12(7-9)19-11(3)16)15(4,5)8-13(17)18/h6-7H,8H2,1-5H3,(H,17,18)

InChI key

IRUYOPOSEOEWIN-UHFFFAOYSA-N

Application

Used as a trimethyl lock in stable chromogenic substrates for esterases

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301,H319

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKBJ9039

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Michael N Levine et al.
Molecules (Basel, Switzerland), 13(2), 204-211 (2008-02-29)
p-Nitrophenyl acetate is the most commonly used substrate for detecting the catalytic activity of esterases, including those that activate prodrugs in human cells. This substrate is unstable in aqueous solution, limiting its utility. Here, a stable chromogenic substrate for esterases

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