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04688

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
UNSPSC Code:
12352100
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.

Application


  • Flavor analysis in agricultural products: 3-Ethylphenol has been identified as a key flavor component in Goji berry pulp, highlighting its role in enhancing sensory profiles in food products. This research supports its application in flavor and fragrance industries, offering insights into consumer product development (Wang et al., 2024).

  • Biorefinery and lignin valorization: 3-Ethylphenol is utilized in the depolymerization of rice straw lignin into value-added chemicals, demonstrating its importance in the development of sustainable chemical processes and the biorefinery industry (Tran et al., 2022).

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

WGK

WGK 3

Flash Point(F)

201.2 °F

Flash Point(C)

94 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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