04688
3-Ethylphenol
≥95.0% (GC)
Synonym(s):
m-Ethylphenol, m-Hydroxyethylbenzene
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About This Item
Linear Formula:
C2H5C6H4OH
CAS Number:
Molecular Weight:
122.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-627-3
Beilstein/REAXYS Number:
1857002
MDL number:
Assay:
≥95.0% (GC)
Form:
liquid
Quality Level
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
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).
signalword
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
10 - Combustible liquids
wgk
WGK 3
flash_point_f
201.2 °F - closed cup
flash_point_c
94 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 301930-1KG | 04061826665589 |
| 301930-25G | 04061826665596 |
| 301930-3KG | 04061833596395 |
| 04688-100ML | 04061837013706 |
| 04688-25ML | 04061837013713 |