Methyl 2-(oxetan-3-ylidene)acetate supplier

Name
Methyl 2-(oxetan-3-ylidene)acetate
EINECS
CAS No. 1105665-34-6
Article Data6
CAS DataBase
Density 1.291 g/cm³
Solubility
Melting Point 47-52°C
Formula C₆H₈O₃
Boiling Point 188.241 °C at 760 mmHg
Molecular Weight 128.128
Flash Point 69.092 °C
Transport Information
Appearance
Safety 36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Acetic acid, 2-(3-oxetanylidene)-, methyl ester;Methyl oxetan-3-ylideneacetate;
PSA 35.53000
LogP 0.11600

Methyl 2-(oxetan-3-ylidene)acetate Specification

The Methyl 2-(oxetan-3-ylidene)acetate, with the CAS registry number 1105665-34-6, is also called Acetic acid, 2-(3-oxetanylidene)-, methyl ester. And the molecular formula of this chemical is C₆H₈O₃. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Methyl 2-(oxetan-3-ylidene)acetate are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23.735; (5)ACD/KOC (pH 7.4): 23.735; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 35.53 Å²; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 32.73 cm³; (12)Molar Volume: 99.222 cm³; (13)Polarizability: 12.975×10^-24cm³; (14)Surface Tension: 55.165 dyne/cm; (15)Density: 1.291 g/cm³; (16)Flash Point: 69.092 °C; (17)Enthalpy of Vaporization: 42.445 kJ/mol; (18)Boiling Point: 188.241 °C at 760 mmHg; (19)Vapour Pressure: 0.605 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)C=C1COC1
(2)InChI: InChI=1/C6H8O3/c1-8-6(7)2-5-3-9-4-5/h2H,3-4H2,1H3
(3)InChIKey: QUBZUQPHJXYCSI-UHFFFAOYAH

Product Name

Methyl 2-(oxetan-3-ylidene)acetate

Methyl 2-(oxetan-3-ylidene)acetate Specification

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