281417
3-Ethylphenol
technical grade, 80%
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About This Item
Linear Formula:
C2H5C6H4OH
CAS Number:
Molecular Weight:
122.16
PubChem Substance ID:
UNSPSC Code:
12352100
Beilstein/REAXYS Number:
1857002
MDL number:
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
grade
technical grade
assay
80%
refractive index
n20/D 1.533 (lit.)
density
1.001 g/mL at 25 °C (lit.)
Application
3-Ethylphenol was used as standard in solid-phase microextraction-gas chromatographic-selected ion mode mass spectroscopic determination of phenolic compounds in cigarette smoke condensate.
Other Notes
remainder mainly 4-ethylphenol
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - 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
Regulatory Information
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Quantitative Determination of Phenols in Mainstream Smoke with Solid-Phase Microextraction-Gas Chromatography-Selected Ion Monitoring Mass Spectrometry.
Clark TJ and Bunch JE.
Journal of Chromatographic Science, 34(6), 272-275 (1996)
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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