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Merck
CN

35376

Cuelure

PESTANAL®, analytical standard

Synonym(s):

4-(3-Oxobutyl)phenyl acetate, Cue-lure, Q-lure, 4-(4-Acetoxyphenyl)-2-butanone

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About This Item

Linear Formula:
CH3CO2C6H4CH2CH2COCH3
CAS Number:
3572-06-3
Molecular Weight:
206.24
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329755140
EC Number:
222-682-0
Beilstein/REAXYS Number:
1961620
MDL number:
MFCD00008704

Key Documents

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Product Name

Cuelure, PESTANAL®, analytical standard

InChI

1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3

SMILES string

CC(=O)CCc1ccc(OC(C)=O)cc1

InChI key

UMIKWXDGXDJQJK-UHFFFAOYSA-N

grade

analytical standard

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.509 (lit.)

bp

123-124 °C/0.2 mmHg (lit.)

density

1.099 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF1663
BCBW8732

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