3-Butenal diethyl acetal - CAS 10602-36-5

Catalog:	BB001761
Product Name:	3-Butenal diethyl acetal
CAS:	10602-36-5
Synonyms:	4,4-diethoxybut-1-ene

Technical Data

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Computed Properties

IUPAC Name:	4,4-diethoxybut-1-ene
Description:	3-Butenal diethyl acetal (CAS# 10602-36-5) is a useful research chemical compound.
Molecular Weight:	144.21
Molecular Formula:	C8H16O2
Canonical SMILES:	CCOC(CC=C)OCC
InChI:	InChI=1S/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3
InChI Key:	PRCYIYOCMALJCX-UHFFFAOYSA-N
Boiling Point:	145.8 °C at 760 mmHg
Purity:	95 %
Density:	0.854 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00012219
LogP:	1.96160

Publication Number	Title	Priority Date
WO-2019152459-A1	Stereoselective synthesis and process for the manufacturing of 2'-deoxynucleosides	20180201
AU-2019216241-A1	Stereoselective synthesis and process for the manufacturing of 2'-deoxynucleosides	20180201
EP-3746452-A1	Stereoselective synthesis and process for the manufacturing of 2'-deoxynucleosides	20180201
US-2020361977-A1	Stereoselective synthesis and process for the manufacturing of 2'-deoxynucleosides	20180201
JP-2021512129-A	Stereoselective synthesis and process for producing 2'-deoxynucleosides	20180201

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Oxygen Compounds

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	75.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.115029749
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.115029749
Rotatable Bond Count:	6
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9