AG003TZA

4744-08-5 | Propionaldehyde diethyl acetal

AG003TZA

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CAS Number	4744-08-5
Catalog Number	AG003TZA(AGN-PC-0JKFJC)
Chemical Name	Propionaldehyde diethyl acetal
EC Number	225-257-8
IUPAC Name	1,1-diethoxypropane
InChI	InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3
InChI Key	MBNMGGKBGCIEGF-UHFFFAOYSA-N
MDL Number	MFCD00009245
Molecular Formula	C7H16O2
Molecular Weight	132.2007
NSC Number	227930
SMILES	CCC(OCC)OCC
Synonyms	1,1-DIETHOXYPROPANE, Propionaldehyde diethyl acetal, 4744-08-5, Propane, 1,1-diethoxy-, Propanaldiethylacetal, Propionaldehyde, diethyl acetal, Diethyl propional, propionaldehyde diethylacetal, MBNMGGKBGCIEGF-UHFFFAOYSA-N, Propane,1-diethoxy-, Propanal diethyl acetal, propioaldehyde diethylacetal, Propioaldehyde diethyl acetal, SCHEMBL25094, propion-aldehyde-diethyl-acetal, ACMC-2097g9, AC1L2H50, DTXSID8063593, CTK1D7146, propaNALDEHYDE DIETHYL ACETAL, ZINC388448, EINECS 225-257-8, ANW-13927, MFCD00009245, NSC227930, Propionaldehyde diethyl acetal, 97%, AKOS028108400, NE10642, NSC 227930, NSC-227930, Propionaldehyde, diethyl acetal (8CI), ZB011522, RT-000903, P0781, EN300-80058, 86338-EP2269978A2, 86338-EP2269985A2, 86338-EP2269991A2, 86338-EP2284150A2, 86338-EP2284151A2, 86338-EP2284152A2, 86338-EP2284153A2, 86338-EP2284155A2, 86338-EP2284156A2, 86338-EP2284164A2, 86338-EP2287140A2, 86338-EP2287148A2, 86338-EP2287150A2, 86338-EP2295419A2, 86338-EP2305637A2, PROPIONALDEHYDEDIETHYLACETAL, CID20858, MFCD00019313,

Complexity	48.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.115g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	132.203g/mol
Monoisotopic Mass	132.115g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅱ
Precautionary statements	P210
UN Code	UN 1989

Certificate of Analysis

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