2,2-Dimethoxyacetaldehyde solution - CAS 51673-84-8

Catalog:	BB027548
Product Name:	2,2-Dimethoxyacetaldehyde solution
CAS:	51673-84-8
Synonyms:	2,2-dimethoxyacetaldehyde

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Computed Properties

IUPAC Name:	2,2-dimethoxyacetaldehyde
Description:	2,2-Dimethoxyethanal has been used as a substitute for Formaldehyde (F691350) in crosslinking of cellulose.
Molecular Weight:	104.10
Molecular Formula:	C4H8O3
Canonical SMILES:	COC(C=O)OC
InChI:	InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3
InChI Key:	OGFKTAMJLKHRAZ-UHFFFAOYSA-N
Boiling Point:	100 ℃
Purity:	95 %
Density:	1.15 g/cm³
Appearance:	Colorless to yellow liquid
Storage:	2-8 ℃
MDL:	MFCD00134410
LogP:	-0.19580

Publication Number	Title	Priority Date
KR-20170043528-A	Monochromatic actinic radiation curable coatings for optical fiber	20140817
US-2016031838-A1	Smyd2 inhibitors	20140731
US-2015322044-A1	Pyrrolidine gpr40 modulators	20140507
WO-2015171722-A1	Pyrrolidine gpr40 modulators for the treatment of diseases such as diabetes	20140507
WO-2015128270-A1	Process for the preparation of a mercapto-terminated liquid polymer	20140227

PMID	Publication Date	Title	Journal
18052181	20080103	Organic solvent-free, enantio- and diastereoselective, direct Mannich reaction in the presence of water	Organic letters
17465566	20070525	Convenient route to enantiopure fmoc-protected morpholine-3-carboxylic acid	The Journal of organic chemistry
17152925	20060901	Convenient and efficient syntheses of 4-hydroxy-2(E)-nonenal and 4-oxo-2(E)-nonenal	Lipids
12790525	20030612	Benzaldehyde lyase-catalyzed enantioselective carboligation of aromatic aldehydes with mono- and dimethoxy acetaldehyde	Organic letters

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	48.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.047344113
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	104.047344113
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4