2,2-Diethoxyethanol - CAS 621-63-6

Catalog:	BB031449
Product Name:	2,2-Diethoxyethanol
CAS:	621-63-6
Synonyms:	2,2-diethoxyethanol; 2,2-diethoxyethanol

Technical Data

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Computed Properties

IUPAC Name:	2,2-diethoxyethanol
Description:	2,2-Diethoxyethanol (CAS# 621-63-6) is used in the synthesis of neooxazolomycin, part of the oxazolomycin family of antibiotics. Also used in the synthesis of pyrimidine based inhibitors of phosphodiesterase 7 (PDE7).
Molecular Weight:	134.17
Molecular Formula:	C6H14O3
Canonical SMILES:	CCOC(CO)OCC
InChI:	InChI=1S/C6H14O3/c1-3-8-6(5-7)9-4-2/h6-7H,3-5H2,1-2H3
InChI Key:	IKKUKDZKIIIKJK-UHFFFAOYSA-N
Boiling Point:	167 ℃ at 760 mmHg
Density:	0.97 g/cm³
MDL:	MFCD00051486
LogP:	0.37780

Publication Number	Title	Priority Date
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
WO-2021063346-A1	Kras g12c inhibitor and application thereof	20190930
WO-2021059072-A1	Block copolymers with a polydiorganosiloxane block and a phosphate or phosphonate containing block	20190924
WO-2021032588-A1	Macrocyclic sulfonylamide derivatives useful as nlrp3 inhibitors	20190816
US-2021002586-A1	Hard surface cleaning compositions with reduced surface tension	20190703

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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:	50.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.094294304
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.094294304
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1