Acrolein dimethyl acetal - CAS 6044-68-4

Catalog:	BB030689
Product Name:	Acrolein dimethyl acetal
CAS:	6044-68-4
Synonyms:	3,3-dimethoxyprop-1-ene

Technical Data

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Computed Properties

IUPAC Name:	3,3-dimethoxyprop-1-ene
Description:	Acrolein dimethyl acetal (CAS# 6044-68-4) is a useful research chemical.
Molecular Weight:	102.13
Molecular Formula:	C5H10O2
Canonical SMILES:	COC(C=C)OC
InChI:	InChI=1S/C5H10O2/c1-4-5(6-2)7-3/h4-5H,1H2,2-3H3
InChI Key:	OBWGMYALGNDUNM-UHFFFAOYSA-N
Boiling Point:	89-90 ℃
Density:	0.862 g/cm³
Appearance:	Colorless liquid with an unpleasant odor
LogP:	0.79130
Vapor Pressure:	85.0 [mmHg]

Publication Number	Title	Priority Date
WO-2021195626-A1	The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks	20200327
US-2021276976-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
US-2021292301-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021160716-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
WO-2021160718-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213

PMID	Publication Date	Title	Journal
15453740	20041006	Palladium-catalyzed copolymerization of ethene with acrolein dimethyl acetal: catalyst action and deactivation	Journal of the American Chemical Society

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Related Functional Groups

Oxygen Compounds

[544-62-7]
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[1011396-69-2]
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[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	48
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	102.068079557
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	102.068079557
Rotatable Bond Count:	3
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7