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269980

Sigma-Aldrich

3-Phenoxyphenol

98%

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Linear Formula:
C6H5OC6H4OH
CAS Number:
Molecular Weight:
186.21
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

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.)

SMILES string

Oc1cccc(Oc2ccccc2)c1

InChI

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

InChI key

HBUCPZGYBSEEHF-UHFFFAOYSA-N

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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

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Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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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