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Merck
CN

269980

3-Phenoxyphenol

98%

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About This Item

Linear Formula:
C6H5OC6H4OH
CAS Number:
713-68-8
Molecular Weight:
186.21
NACRES:
NA.22
PubChem Substance ID:
24856184
UNSPSC Code:
12352100
EC Number:
211-930-3
MDL number:
MFCD00003543

Key Documents

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Product Name

3-Phenoxyphenol, 98%

InChI key

HBUCPZGYBSEEHF-UHFFFAOYSA-N

InChI

1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H

SMILES string

Oc1cccc(Oc2ccccc2)c1

assay

98%

refractive index

n20/D 1.601 (lit.)

bp

185 °C/12 mmHg (lit.)

mp

41-42 °C (lit.)

density

1.159 g/mL at 25 °C (lit.)

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General description

The thermodynamic properties of 3-phenoxyphenol was studied using a combination of effusion and calorimetric techniques and also by high-level ab initio molecular orbital calculations. The standard molar enthalpy of formation of 3-phenoxyphenol was determined using Calvet microcalorimetry.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCF8753
MKBL2054V
02915AJ
10526AE
06222MU

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Manuel A V Ribeiro da Silva et al.
The Journal of organic chemistry, 76(10), 3754-3764 (2011-04-14)
Thermodynamic properties of 3- and 4-phenoxyphenol have been determined by using a combination of calorimetric and effusion techniques as well as by high-level ab initio molecular orbital calculations. The standard (p° = 0.1 MPa) molar enthalpies of formation in the

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