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Merck
CN

68985

4-tert-Amylphenol

PESTANAL®, analytical standard

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About This Item

Linear Formula:
C2H5C(CH3)2C6H4OH
CAS Number:
80-46-6
Molecular Weight:
164.24
NACRES:
NA.24
PubChem Substance ID:
329761293
UNSPSC Code:
41116107
EC Number:
201-280-9
MDL number:
MFCD00002369

Key Documents

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InChI key

NRZWYNLTFLDQQX-UHFFFAOYSA-N

InChI

1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3

SMILES string

CCC(C)(C)c1ccc(O)cc1

grade

analytical standard

product line

PESTANAL®

assay

≥98.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

255 °C (lit.)

mp

88-89 °C (lit.)

application(s)

environmental

format

neat

Quality Level

100

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General description

4-tert-Amylphenol belongs to the class of alkylphenols (APs). APs are predominantly utilized in various agricultural and personal care products. 4-tert-amylphenol (4-TAP) is used in the manufacture of fragrances, de-emulsifying agents, and biocides. It is an endocrine-disrupting chemical and is regarded as a persistent toxic environmental contaminant.
This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

Application

4-tert-Amylphenol may be used as an analytical reference standard for the determination of the analyte in environmental samples by chromatography-based techniques.

Legal Information

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

signalword

Danger

Storage Class

8B - Non-combustible corrosive hazardous materials

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 1 - ED ENV 1 - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ4407
BCCH8583
BCCC1680
BCBX6500
BCBT1557

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Development of a fabric phase sorptive extraction with high-performance liquid chromatography and ultraviolet detection method for the analysis of alkyl phenols in environmental samples
Kumar R, et al.
Journal of Separation Science, 38(18), 3228-3238 (2015)
Analysis of multiple endocrine disruptors in environmental waters via wide-spectrum solid-phase extraction and dual-polarity ionization LC-ion trap-MS/MS
Benijts T, et al.
Analytical Chemistry, 76(3), 704-711 (2004)

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