2-Methoxyethyl 4-Methylbenzenesulfonate - CAS 17178-10-8

Catalog:	BB012771
Product Name:	2-Methoxyethyl 4-Methylbenzenesulfonate
CAS:	17178-10-8
Synonyms:	4-methylbenzenesulfonic acid 2-methoxyethyl ester; 2-methoxyethyl 4-methylbenzenesulfonate

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Computed Properties

IUPAC Name:	2-methoxyethyl 4-methylbenzenesulfonate
Description:	2-Methoxyethyl 4-Methylbenzenesulfonate (CAS# 17178-10-8 ) is a useful research chemical.
Molecular Weight:	230.28
Molecular Formula:	C10H14O4S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OCCOC
InChI:	InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3
InChI Key:	TZXJJSAQSRHKCZ-UHFFFAOYSA-N
LogP:	2.42750

Publication Number	Title	Priority Date
US-11040939-B1	N-transfer reagent and method for preparing the same and its application	20200623
WO-2021158820-A1	Nerve-specific fluorophore formulations for direct and systemic administration	20200206
WO-2021138116-A1	Oxazine-based water-soluble fluorophore compounds for in vivo nerve imaging	20200102
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223
KR-20210080261-A	Novel thiazole derivatives and its use	20191220

PMID	Publication Date	Title	Journal
15455150	20041007	Synthesis and binding properties of calix[4]arenes with [2 + 2'] mixed ligating functional groups	Organic & biomolecular chemistry

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Carbonyl Compounds

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	260
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.0612801
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.0612801
Rotatable Bond Count:	5
Topological Polar Surface Area:	61
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3