Molecule structure of Propylene glycol monoacetate (CAS NO.1331-12-0):
IUPAC Name: 2-Hydroxypropyl acetate
Molecular Weight: 118.1311 g/mol
Molecular Formula: C5H10O3
Density: 1.05 g/cm3
Boiling Point: 191 °C at 760 mmHg
Flash Point: 77.5 °C
Index of Refraction: 1.42
Molar Refractivity: 28.48 cm3
Molar Volume: 112.4 cm3
Polarizability: 11.29×10-24 cm3
Surface Tension: 33.2 dyne/cm
Enthalpy of Vaporization: 49.72 kJ/mol
Vapour Pressure: 0.142 mmHg at 25 °C
XLogP3: -0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 118.062994
MonoIsotopic Mass: 118.062994
Topological Polar Surface Area: 46.5
Heavy Atom Count: 8
Complexity: 79.7
Canonical SMILES: CC(COC(=O)C)O
InChI: InChI=1S/C5H10O3/c1-4(6)3-8-5(2)7/h4,6H,3H2,1-2H3
InChIKey: PPPFYBPQAPISCT-UHFFFAOYSA-N
EINECS of Propylene glycol monoacetate (CAS NO.1331-12-0): 215-555-6
1. | orl-rat LD50:18 g/kg | JIDHAN Journal of Industrial Hygiene. 23 (1941),259. |
Reported in EPA TSCA Inventory.
Slightly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
Propylene glycol monoacetate (CAS NO.1331-12-0) is also named as 1,2-Propanediol, monoacetate .
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