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3-Ethoxy-1,2-propanediol

CAT: 0572-TRC-E892770-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-E892770-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1874-62-0
Synonyms
Glycerin 1-Ethyl Ether; Glycerol 1-Ethyl Ether; Glycerol α-Ethyl Ether; Glycerol α-Monoethyl Ethe
Hazard Statement
Causes skin irritation
Purity
>95% (GC)
Smiles
CCOCC(O)CO
Molecular Formula
C5 H12 O3
Molecular Weight
120.147
InChI
InChI=1S/C5H12O3/c1-2-8-4-5(7)3-6/h5-7H,2-4H2,1H3
Additionnal Information
IUPAC name: 3-ethoxypropane-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Ethoxy-1,2-propanediol
CAS Number1874-62-0
PubChem CID94215
IUPAC Name3-ethoxypropane-1,2-diol
Molecular FormulaC5H12O3
Molecular Weight120.15
XLogP-0.9
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity46
SMILES
CCOCC(CO)O
InChI
InChI=1S/C5H12O3/c1-2-8-4-5(7)3-6/h5-7H,2-4H2,1H3
InChIKey
LOSWWGJGSSQDKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxy-1,2-propanediol
CAS: 1874-62-0
CID: 94215
Formula: C5H12O3
MW: 120.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight120.15
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass120.078644241
Monoisotopic Mass120.078644241
Topological Polar Surface Area49.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity46.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes