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Oxiranemethanol acetate

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Name

Oxiranemethanol acetate

EINECS 228-994-3
CAS No. 6387-89-9 Density 1.140g/cm3
PSA 38.83000 LogP -0.05170
Solubility H2O: soluble Melting Point N/A
Formula C5H8O3 Boiling Point 146.7 °C at 760 mmHg
Molecular Weight 116.117 Flash Point 69.6 °C
Transport Information N/A Appearance solid
Safety 36 Risk Codes 22
Molecular Structure Molecular Structure of 6387-89-9 (2-Oxiranemethanol,2-acetate) Hazard Symbols HarmfulXn
Synonyms

1-Propanol,2,3-epoxy-, acetate (7CI,8CI);Glycidol acetate (6CI);Oxiranemethanol, acetate(9CI);(?à)-Glycidyl acetate;Glycidylacetate;Oxiranemethyl acetate;

Article Data 33

Oxiranemethanol acetate Specification

The Oxiranemethanol acetate, with CAS registry number 6387-89-9,  has the systematic name of oxiran-2-ylmethyl acetate. And its IUPAC name is the same one. Besides this, it is also called 2-oxiranemethanol, acetate. And this chemical should be stored at the temperature of 2-8°C. What's more, this chemical is harmful if swallowed. When use it, you should wear suitable protective clothing.

Physical properties of Oxiranemethanol acetate: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.59; (8)ACD/KOC (pH 7.4): 31.59; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.83 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 26.56 cm3; (15)Molar Volume: 101.8 cm3; (16)Polarizability: 10.53×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Enthalpy of Vaporization: 38.37 kJ/mol; (19)Vapour Pressure: 4.59 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC1OC1)C
(2)InChI: InChI=1/C5H8O3/c1-4(6)7-2-5-3-8-5/h5H,2-3H2,1H3
(3)InChIKey: JKXONPYJVWEAEL-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H8O3/c1-4(6)7-2-5-3-8-5/h5H,2-3H2,1H3
(5)Std. InChIKey: JKXONPYJVWEAEL-UHFFFAOYSA-N

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