Propionaldehyde Diethyl Acetal

CAT: 0572-TRC-P827700-100GSize: 100 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-P827700-100GSize:100 g

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CAS Number

4744-08-5

Synonyms

1,1-Diethoxypropane; NSC 227930; Propanal Diethylacetal; Propionaldehyde Ethyl Acetal

Hazard Statement

Highly flammable liquid and vapour; UN number: UN1989; Packing Group: II

Smiles

CCOC(CC)OCC

Molecular Formula

C7H16O2

Molecular Weight

132.2

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Propane, 1,1-diethoxy-

CAS Number	4744-08-5
PubChem CID	20858
IUPAC Name	1,1-diethoxypropane
Molecular Formula	C7H16O2
Molecular Weight	132.20
XLogP	1.7
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	48

SMILES

CCC(OCC)OCC

InChI

InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3

InChIKey

MBNMGGKBGCIEGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4744-08-5

CID: 20858

Formula: C7H16O2

MW: 132.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	132.20
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	132.115029749
Monoisotopic Mass	132.115029749
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	48.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
463062-01	Propionaldehyde Diethyl Acetal
sc-485413	Propionaldehyde Dimethyl Acetal
AR-A01131-01	Acetal (Acetaldehyde Diethyl Acetal)
451257-01	Glutaraldehydonitrile Diethyl Acetal
447237-01	Dimethylaminoacetaldehyde Diethyl Acetal
sc-234002	Benzyloxyacetaldehyde diethyl acetal
sc-239511	Chloroacetaldehyde diethyl acetal
sc-236394	Phthalimidoacetaldehyde diethyl acetal
OR1029328-01	Hexaldehyde Diethyl Acetal
OR922307-01	Isobutyraldehyde diethyl acetal

Propionaldehyde Diethyl Acetal

Chemical Information

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