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Propylene Glycol 99% Extrapure

CAT: 1507-02212 02500Size: 2.5 LDry Ice: NoHazardous: No
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CAT#:1507-02212 02500Size:2.5 L
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CAS Number
57-55-6

Chemical Information

Propylene Glycol

Propane-1,2-diol is the simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (59C) and high-boiling (188C) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. It has a role as a protic solvent, an allergen, a mouse metabolite and a human xenobiotic metabolite. It is a glycol and a member of propane-1,2-diols.

CAS Number57-55-6
PubChem CID1030
IUPAC Namepropane-1,2-diol
Molecular FormulaC3H8O2
Molecular Weight76.09
XLogP-0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity20
SMILES
CC(CO)O
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey
DNIAPMSPPWPWGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propylene Glycol
CAS: 57-55-6
CID: 1030
Formula: C3H8O2
MW: 76.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight76.09
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass76.052429494
Monoisotopic Mass76.052429494
Topological Polar Surface Area40.5 Ų
Heavy Atom Count5
Formal Charge0
Complexity20.9
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

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