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290823

4-tert-Octylphenol

97%

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857490
EC Number:
205-426-2
Beilstein/REAXYS Number:
513992
MDL number:
MFCD00002368
Assay:
97%
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Quality Segment

100

assay

97%

bp

175 °C/30 mmHg (lit.)

mp

79-82 °C (lit.)

solubility

water: slightly soluble 0.007 g/L at 20 °C

SMILES string

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

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

InChI key

ISAVYTVYFVQUDY-UHFFFAOYSA-N

Gene Information

mouse ... Esr1(13982)

General description

4-tert-Octylphenol is a potential environmental pollutant and it exhibits toxic and estrogenic effects on mammalian cells. It binds to estrogen receptors and exerts estrogenic actions in vitro. The transformation of the 4-tert-octylphenol upon irradiation at 253.7nm and by hydroxyl radicals generated by the photolysis (λexc = 253.7nm) of hydrogen peroxide in aqueous solution has been studied.

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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

ppe

dust mask type N95 (US), Eyeshields, Gloves

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