3-Ethylphenol - CAS 620-17-7

Name: 3-Ethylphenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	3-ethylphenol
Description:	3-Ethylphenol (CAS# 620-17-7) is a phenolic compound that may have cytotoxic effects.
Molecular Weight:	122.16
Molecular Formula:	C8H10O
Canonical SMILES:	CCC1=CC(=CC=C1)O
InChI:	InChI=1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
InChI Key:	HMNKTRSOROOSPP-UHFFFAOYSA-N
Boiling Point:	108-110 °C (15 mmHg)
Melting Point:	-4°C
Flash Point:	94°C
Purity:	96%
Density:	1.001 g/cm³
Appearance:	Yellow liquid
Storage:	Store in a cool, dry place. Keep containers tightly closed.
MDL:	MFCD00002311
LogP:	1.95460
Refractive Index:	1.531-1.535
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.05 [mmHg]

GHS Hazard Statement:	H301 (39.59%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
29658714	20180521	Activation of TRPV3 by Wood Smoke Particles and Roles in Pneumotoxicity	Chemical research in toxicology
23030272	20121017	Development of enantioselective synthetic routes to (-)-kinamycin F and (-)-lomaiviticin aglycon	Journal of the American Chemical Society
22392083	20120301	Defensive secretions of the carabid beetle Chlaenius cordicollis: chemical components and their geographic patterns of variation	Journal of chemical ecology
21943071	20110926	The role of cow urine in the oviposition site preference of culicine and Anopheles mosquitoes	Parasites & vectors
20658345	20101101	Morpho-functional identification of abdominal olfactory receptors in the midge Culicoides imicola	Journal of comparative physiology. A, Neuroethology, sensory, neural, and behavioral physiology

Complexity:	80.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.073164938
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.073164938
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4