2-Ethoxyphenol - CAS 94-71-3

Catalog:	BB041463
Product Name:	2-Ethoxyphenol
CAS:	94-71-3
Synonyms:	2-ethoxyphenol

Technical Data

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Computed Properties

IUPAC Name:	2-ethoxyphenol
Description:	2-Ethoxyphenol (CAS# 94-71-3) is a useful research chemical.
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	CCOC1=CC=CC=C1O
InChI:	InChI=1S/C8H10O2/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H3
InChI Key:	MOEFFSWKSMRFRQ-UHFFFAOYSA-N
Boiling Point:	216-217 ℃
Density:	1.09 g/cm³
Appearance:	Liquid
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD00002187
LogP:	1.79090
Vapor Pressure:	0.02 [mmHg]

Publication Number	Title	Priority Date
WO-2021126264-A1	Inkjet inks	20191220
WO-2021126267-A1	Inkjet inks	20191220
WO-2021081743-A1	Method for recovering catechol from o-ethoxyphenol reaction liquid	20191029
EP-3798261-A1	Polymer compositions and their use as pour point depressant in paraffin-containing hydrocarbon oils	20190926
WO-2021058228-A1	Polymer compositions and use thereof as pour point depressants in paraffin-containing hydrocarbon oils	20190926

PMID	Publication Date	Title	Journal
23007530	20121001	Two tetranuclear zinc clusters, [Zn4(μ3-OEt)2(μ2-MalO)4Et2] and [Zn4(μ3-GueO)2(μ2-GueO)2(μ2-MalO)2(MalO)2]·2C7H8, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)	Acta crystallographica. Section C, Crystal structure communications
22719668	20120601	2-Eth-oxy-6-{[1-(3-eth-oxy-2-hy-droxy-benz-yl)-1H-benzimidazol-2-yl]meth-yl}phenol nitro-methane monosolvate	Acta crystallographica. Section E, Structure reports online
22590286	20120501	2-Eth-oxy-6-[1-(3-eth-oxy-2-hy-droxy-benz-yl)-2,3-dihydro-1H-benzimidazol-2-yl]phenol acetonitrile monosolvate	Acta crystallographica. Section E, Structure reports online
22412708	20120301	(E)-N'-(3-Eth-oxy-4-hy-droxy-benzyl-idene)-4-meth-oxy-benzohydrazide	Acta crystallographica. Section E, Structure reports online
21958354	20120101	Synthesis, spectroscopy and antimicrobial activity of iron complexes of some smoke flavour compounds	Natural product research

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GHS Hazard Statement:	H302 (85.19%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	93.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.068079557
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7