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Sigma-Aldrich

3-Ethylphenol

≥95.0% (GC)

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Synonym(s):
m-Ethylphenol, m-Hydroxyethylbenzene
Linear Formula:
C2H5C6H4OH
CAS Number:
620-17-7
Molecular Weight:
122.16
Beilstein:
1857002
EC Number:
210-627-3
MDL number:
MFCD00002311
PubChem Substance ID:
329747973
NACRES:
NA.22

Quality Level

100

Assay

≥95.0% (GC)

form

liquid

refractive index

n20/D 1.533 (lit.)
n20/D 1.534

density

1.001 g/mL at 25 °C (lit.)

SMILES string

CCc1cccc(O)c1

InChI

1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3

InChI key

HMNKTRSOROOSPP-UHFFFAOYSA-N

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General description

3-Ethylphenol is an aromatic phenolic compound. It is mainly used in the production of commercial phenolic resins. Additionally, 3-ethylphenol is also used as an intermediate in organic synthesis to prepare various phenolic compounds.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - 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(F)

201.2 °F - closed cup

Flash Point(C)

94 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Cynthia D Selassie et al.
Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)
In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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