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Merck
CN

756377

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
NACRES:
NA.22
PubChem Substance ID:
329766537
UNSPSC Code:
12352108
MDL number:
MFCD03414459
Assay:
97%
Form:
solid

Key Documents

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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)

SMILES string

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

InChI key

IRUYOPOSEOEWIN-UHFFFAOYSA-N

assay

97%

form

solid

mp

113-118 °C

functional group

carboxylic acid, ester

storage temp.

2-8°C

Quality Level

100

Related Categories

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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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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