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2-Propyl-1,3-dioxolane (Technical Grade)

CAT: 0572-TRC-P835193-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P835193-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3390-13-4
Synonyms
1,3-Dioxolane, 2-propyl- (7CI, 8CI, 9CI, ACI); 2-Propyl-1,3-dioxolane (ACI); 2-(n-Propyl)-1,3-dioxolane; 2-Propyldioxolane; Butanal, cyclic 1,2-ethanediyl acetal; Butyraldehyde ethylene acetal; Butyraldehyde glycol acetal; NSC 86115
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: III
Smiles
CCCC1OCCO1
Molecular Formula
C6 H12 O2
Molecular Weight
116.158
InChI
InChI=1S/C6H12O2/c1-2-3-6-7-4-5-8-6/h6H,2-5H2,1H3
Additionnal Information
IUPAC name: 2-propyl-1,3-dioxolane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Propyl-1,3-dioxolane
CAS Number3390-13-4
PubChem CID179832
IUPAC Name2-propyl-1,3-dioxolane
Molecular FormulaC6H12O2
Molecular Weight116.16
XLogP1.1
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity57
SMILES
CCCC1OCCO1
InChI
InChI=1S/C6H12O2/c1-2-3-6-7-4-5-8-6/h6H,2-5H2,1H3
InChIKey
JSDUOUVZQRZOOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propyl-1,3-dioxolane
CAS: 3390-13-4
CID: 179832
Formula: C6H12O2
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area18.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity57.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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