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25136-53-2

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Basic Information
CAS No.: 25136-53-2
Name: (allyloxy)propanediol
Molecular Structure:
Molecular Structure of 25136-53-2 ((allyloxy)propanediol)
Formula: C6H12O3
Molecular Weight: 132.18
Synonyms: EINECS 246-645-3;2-(prop-2-en-1-yloxy)propane-1,3-diol;Glycerol allyl ether;Glycerol monoallyl ether;Glycerin monoallyl ether;(Allyloxy)propanediol;Propanediol,(2-propenyloxy);Propanediol,(allyloxy);Monoallyl glycerin ether;1,?-Propanediol,2(or 3)-(2-propenyloxy);
Density: 1.065g/cm3
Boiling Point: 84.246°C at 760 mmHg
Flash Point: 4.752°C
Hazard Symbols:
Safety: Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 49.69000
LogP: -0.45780
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Chemistry

Product Name: Glycerin monoallyl ether (CAS NO.25136-53-2)


Molecular Formula: C6H12O3
Molecular Weight: 132.15768g/mol
Mol File: 25136-53-2.mol
EINECS: 246-645-3
Boiling point: 84.246 °C at 760 mmHg
Flash Point: 4.752 °C
Density: 1.065 g/cm3
Surface Tension: 37.994 dyne/cm
Enthalpy of Vaporization: 37.855 kJ/mol
Vapour Pressure: 46.851 mmHg at 25°C
XLogP3-AA: -0.6
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Glycerin monoallyl ether (CAS NO.25136-53-2):
  IUPAC Name: 2-prop-2-enoxypropane-1,3-diol
  Canonical SMILES: C=CCOC(CO)CO
  InChI: InChI=1S/C6H12O3/c1-2-3-9-6(4-7)5-8/h2,6-8H,1,3-5H2 
  InChIKey: IGDCJKDZZUALAO-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported > 10gm/kg (10000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(6), Pg. 86, 1990.
mouse LD50 oral 1750mg/kg (1750mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 94, 1981.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Glycerin monoallyl ether , its CAS NO. is 25136-53-2, the synonyms are EINECS 246-645-3 ; Glycerol allyl ether ; Monoallyl glycerin ether ; Propanediol, (2-propenyloxy)- ; (Allyloxy)propanediol ; 1,?-Propanediol, 2(or 3)-(2-propen-1-yloxy)- ; 1,?-Propanediol, 2(or 3)-(2-propenyloxy)- ; Propanediol, (allyloxy)- .