3-Allyloxy-1,2-propanediol

Product Information

Molecular Formula:
C6H12O3
Molecular Weight:
132.16
Description
3-Allyloxy-1,2-propanediol is a useful synthetic intermediate for the preparation of doxorubicin analogues.
Synonyms
1-(Allyloxy)-2,3-propanediol; 1-Allyloxy-2,3-dihydroxypropane; 1-O-Allylglycerol; 1-O-Prop-2-enylglycerol; 3-(2-Propenyloxy)-1,2-propanediol; Allyl chlorohydrin ether; Glycerin 1-allyl ether; Glycerol 1-allyl ether; Glycerol 1-monoallyl ether; Glycerol α-allyl ether; Glycerol α-monoallyl ether; NSC 59722; 3-(Allyloxy)propane-1,2-diol
IUPAC Name
3-prop-2-enoxypropane-1,2-diol
Canonical SMILES
C=CCOCC(CO)O
InChI
InChI=1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2
InChI Key
PAKCOSURAUIXFG-UHFFFAOYSA-N
Boiling Point
234.1±0.0°C at 760 mmHg
Melting Point
-100°C
Flash Point
134 °C
Purity
95%
Density
1.068 g/mL at 25°C
Appearance
Clear Colorless to Light Yellow Viscous Liquid
Storage
Store at RT
Refractive Index
n20/D 1.462 (lit.)

Safety Information

Hazards
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3
-0.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
5
Exact Mass
132.078644241 g/mol
Monoisotopic Mass
132.078644241 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
72.7
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113999384-A Functional composite polyether and preparation method and application thereof 2021-11-01
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CN-113698573-A Preparation method of anti-fouling coating on glass surface 2021-09-07
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CN-113527997-A Single-component asphalt polyurethane waterproof coating compatible with asphalt-based waterproof coiled material and preparation method thereof 2021-07-19
CN-113150614-A Radiation-curable ink-jet fluid, spray ink and application thereof 2021-05-28
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Literatures

PMID Publication Date Title Journal
18681431 2008-09-03 Janus-type dendrimer-like poly(ethylene oxide)s Journal of the American Chemical Society
17909742 2008-01-01 Formulation of hydrophilic non-aqueous gel: drug stability in different solvents and rheological behavior of gel matrices Pharmaceutical research
12919045 2003-08-22 Direct synthesis of plasmenylcholine from allyl-substituted glycerols The Journal of organic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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