4-Ethoxybenzoic acid - CAS 619-86-3

Catalog:	BB031366
Product Name:	4-Ethoxybenzoic acid
CAS:	619-86-3
Synonyms:	4-ethoxybenzoic acid

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Computed Properties

IUPAC Name:	4-ethoxybenzoic acid
Description:	4-Ethoxybenzoic acid (CAS# 619-86-3) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	CCOC1=CC=C(C=C1)C(=O)O
InChI:	InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key:	SHSGDXCJYVZFTP-UHFFFAOYSA-N
Boiling Point:	291.2 °C at 760 mmHg
Melting Point:	200 °C
Purity:	> 98.0 % (GC) (T)
Density:	1.166 g/cm³
Appearance:	White to almost white powder to crystal
MDL:	MFCD00002545
LogP:	1.78350

Publication Number	Title	Priority Date
CN-113292553-A	Arylthiazole-tryptamine compound for killing algae by skeletonema costatum and composition agent thereof	20210512
CN-111995567-A	Formamide pyridone iron chelator derivative with potential multi-target anti-AD activity and preparation method and application thereof	20200724
WO-2021158517-A1	Compositions and methods of use thereof for treatment of mastitis	20200203
CN-111170960-A	Meat flavor compound, preparation method thereof and flavor additive	20200117
CN-111413849-A	Photosensitive composition, preparation method thereof, pattern forming method and application	20200115

PMID	Publication Date	Title	Journal
22704927	20120915	Transport behavior of functionalized multi-wall carbon nanotubes in water-saturated quartz sand as a function of tube length	Water research
21370892	20110322	Highly conducting and flexible few-walled carbon nanotube thin film	ACS nano
21218074	20100701	Synthesis and antibacterial activity of triphenyltinbenzoate	Indian journal of pharmaceutical sciences
21580681	20100317	2-(2-Fluoro-biphenyl-4-yl)-N'-(propan-2-yl-idene)propanohydrazide	Acta crystallographica. Section E, Structure reports online
18956872	20081126	Phenolic derivatives from soy flour ethanol extract are potent in vitro quinone reductase (QR) inducing agents	Journal of agricultural and food chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4