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Merck

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:
Molecular Weight:
264.32
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.22

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Quality Level

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

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This Item
776181658219
form

solid

form

solid

form

solid

mp

113-118 °C

mp

107-112 °C

mp

140-143 °C (lit.)

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

-

Application

Used as a trimethyl lock in stable chromogenic substrates for esterases[1]

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 3 Oral - Eye Irrit. 2

Storage Class Code

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


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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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