CAS No.69556-70-3,4-METHOXY-2(5H)-FURANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69556-70-3
Name:	4-METHOXY-2(5H)-FURANONE
Article Data:	14

Formula:	C₅H₆O₃
Molecular Weight:	114.101
Synonyms:	4-Methoxy-5H-furan-2-one;4-Methoxy-2(5H)-furanone;Methyl tetronate;4-methoxyfuran-2(5H)-one;2(5H)-Furanone, 4-methoxy-;3-methoxy-2H-furan-5-one;
Density:	1.19 g/cm³
Melting Point:	62-64 °C(lit.)
Boiling Point:	305.2 °C at 760 mmHg
Flash Point:	120.4 °C
Appearance:	white crystals
Hazard Symbols:	Xi
Risk Codes:	36/38-36/37/38
Safety:	37/39-24/25
PSA:	35.53000
LogP:	0.07350

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Specification

The 2(5H)-Furanone,4-methoxy-, with the CAS registry number 69556-70-3, has the systematic name of 4-methoxyfuran-2(5H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₅H₆O₃.

The characteristics of 2(5H)-Furanone,4-methoxy- are as followings: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.38; (8)ACD/KOC (pH 7.4): 5.38; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 26.42 cm³; (15)Molar Volume: 95.5 cm³; (16)Polarizability: 10.47×10^-24cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 120.4 °C; (20)Enthalpy of Vaporization: 54.56 kJ/mol; (21)Boiling Point: 305.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000834 mmHg at 25°C.

Preparation of 2(5H)-Furanone,4-methoxy-: This chemical can be prepared by methanol and tetronic acid. The reaction will need reagent acetyl chloride. The reaction time is 4 hours with heating, and the yield is about 75%.

Uses of 2(5H)-Furanone,4-methoxy-: It can react with pyrrolidine to produce 4-pyrrolidin-1-yl-5H-furan-2-one. This reaction will need menstruum ethanol. The reaction time is 6.5 hours with heating, and the yield is about 72%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C\1OCC(/OC)=C/1
(2)InChI: InChI=1/C5H6O3/c1-7-4-2-5(6)8-3-4/h2H,3H2,1H3
(3)InChIKey: VOYDEHILKLSVNN-UHFFFAOYAX