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(±) -1,2-Propanediol

CAT: 0804-HY-Y0921-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-Y0921-01Size:100 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(±) -1, 2-propanediol (1,2- (RS) -Propanediol) is an aliphatic alcohol that is often used as an excipient in many active molecular preparations to increase the solubility and stability of the active molecule. (±) -1, 2-propanediol can affect the neurobehavior of zebrafish[1][2].
CAS Number
57-55-6
Product Name Alternative
1,2- (RS) -Propanediol; 1,2-Propylene glycol; Propylene glycol
UNSPSC
12352200
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Biochemical Assay Reagents
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/__plusmn__-1,2-Propanediol.html
Purity
99.98
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 100 mg/mL (ultrasonic)
Smiles
CC(O)CO
Molecular Formula
C3H8O2
Molecular Weight
76.09
Precautions
H302, H315, H319, H335
References & Citations
[1]De Cock RF, et al. Low but inducible contribution of renal elimination to clearance of propylene glycol in preterm and term neonates. Ther Drug Monit. 2014 Jun;36 (3) :278-87.|[2]Massarsky A, et al. Neurobehavioral effects of 1,2-propanediol in zebrafish (Danio rerio) . Neurotoxicology. 2018 Mar;65:111-124.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

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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