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Merck
CN

442858

4-tert-Octylphenol

analytical standard

Synonym(s):

4-(1,1,3,3-Tetramethylbutyl)phenol

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About This Item

Linear Formula:
(CH3)3CCH2C(CH3)2C6H4OH
CAS Number:
140-66-9
Molecular Weight:
206.32
EC Number:
205-426-2
UNSPSC Code:
12352200
PubChem Substance ID:
24868026
Beilstein/REAXYS Number:
513992
MDL number:
MFCD00002368
NACRES:
NA.24

Key Documents

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Product Name

4-tert-Octylphenol, analytical standard

InChI key

ISAVYTVYFVQUDY-UHFFFAOYSA-N

InChI

1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3

SMILES string

CC(C)(C)CC(C)(C)c1ccc(O)cc1

grade

analytical standard

CofA

current certificate can be downloaded

packaging

ampule of 500 mg

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

175 °C/30 mmHg (lit.)

mp

79-82 °C (lit.)

Gene Information

mouse ... Esr1(13982)

application(s)

environmental

format

neat

storage temp.

2-30°C

Quality Level

100

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Application

4-tert-Octylphenol has been used as a reference standard for the determination of the analyte in water samples using ultra-high-performance liquid chromatography/tandem mass spectrometry (UHPLC/MS/MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

This compound is listed in the SVHC (Substances of very high concern) candidate list of ECHA (European Chemicals Agency)

pictograms

CorrosionEnvironment
GHS05,GHS09

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

296.6 °F

flash_point_c

147 °C

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV6397
MKCQ7751
MKCF7969
MKCC4688
MKBT8005

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Direct analysis of trace level bisphenol A, octylphenols and nonylphenol in bottled water and leached from bottles by ultra?high?performance liquid chromatography/tandem mass spectrometry.
Wang J and Schnute CW
Rapid Communications in Mass Spectrometry, 24(17), 2605-2610 (2010)
Mei-Hui Li
Environmental toxicology and chemistry, 31(4), 843-850 (2012-01-27)
Surfactants are a major class of emerging pollutants widely used in large quantities in everyday life and commonly found in surface waters worldwide. Freshwater planarian was selected to examine the effects of different surfactants by measuring mortality, mobility, and membrane-bound
Tadashi Toyama et al.
Environmental science & technology, 45(15), 6524-6530 (2011-07-09)
We investigated biodegradation of technical nonylphenol (tNP) in Phragmites australis rhizosphere sediment by conducting degradation experiments using sediments spiked with tNP. Accelerated tNP removal was observed in P. australis rhizosphere sediment, whereas tNP persisted in unvegetated sediment without plants and
Yonglan Xu et al.
Chemosphere, 85(5), 790-796 (2011-07-13)
Direct and indirect (sensitized) photolysis of p-tert-octylphenol (OP), 4-octylphenoxy-acetic acid (OP1EC), and ibuprofen (IBU) were investigated in laboratory water and surface water under simulated and natural sunlight conditions. Photodegradation obeyed apparent-first order kinetics with rates increasing in the presence of
Yanlin Wu et al.
Environmental science and pollution research international, 20(1), 3-9 (2012-07-21)
4-Tert-octylphenol (4-t-OP), a kind of endocrine-disrupting compounds, is widely distributed in natural water surroundings but can hardly be biodegraded. The advanced oxidation processes (AOPs) have been proved to be an efficient method to degrade 4-t-OP. In this study, the photodegradation
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