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
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.
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.
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 |
| CN-113650320-A | Miniature wave-transmitting cover and preparation method thereof | 2021-10-21 |
| CN-113696573-A | Toughened home decoration base film and preparation method thereof | 2021-10-08 |
| CN-113787802-A | PET (polyethylene terephthalate) film for solar cell back panel and preparation method thereof | 2021-09-14 |
| CN-113717385-A | Glass polymer with shearing hardening characteristic | 2021-09-09 |
| CN-113698573-A | Preparation method of anti-fouling coating on glass surface | 2021-09-07 |
| CN-113563588-A | Hydroxyl-terminated siloxane, silicon polyurethane containing same and preparation method thereof | 2021-07-28 |
| 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 |
| CN-113201233-A | Photochromic organic pigment and preparation method thereof | 2021-04-29 |
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 |
