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5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

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Name

5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

EINECS 1312995-182-4
CAS No. 15568-85-1 Density 1.297 g/cm3
PSA 61.83000 LogP 0.35280
Solubility N/A Melting Point 132-134 °C
Formula C8H10O5 Boiling Point 390 °C at 760 mmHg
Molecular Weight 186.164 Flash Point 178.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15568-85-1 (5-(METHOXYMETHYLENE)-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE) Hazard Symbols N/A
Synonyms

Malonicacid, (methoxymethylene)-, cyclic isopropylidene ester (8CI);5-Methoxymethylene-2,2-dimethyl-4,6-dioxo-1,3-dioxane;MethoxymethyleneMeldrum's acid;NSC 662768;

Article Data 30

5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione Specification

The 1,3-Dioxane-4,6-dione,5-(methoxymethylene)-2,2-dimethyl- is an organic compound with the formula C8H10O5. The IUPAC name of this chemical is 5-(Methoxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. With the CAS registry number 15568-85-1, it is also named as Methoxymethylene meldrum's acid. Besides, its molecular weight is 186.16.

Physical properties about 1,3-Dioxane-4,6-dione,5-(methoxymethylene)-2,2-dimethyl- are: (1)ACD/LogP: -1.33; (2)ACD/LogD (pH 5.5): -1.32; (3)ACD/LogD (pH 7.4): -1.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.53; (7)ACD/KOC (pH 7.4): 4.53; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 61.83 Å2; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 43.86 cm3; (13)Molar Volume: 143.5 cm3; (14)Polarizability: 17.39×10-24 cm3; (15)Surface Tension: 45.2 dyne/cm; (16)Density: 1.297 g/cm3; (17)Flash Point: 178.7 °C; (18)Enthalpy of Vaporization: 63.94 kJ/mol; (19)Boiling Point: 390 °C at 760 mmHg; (20)Vapour Pressure: 2.74E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
(2)InChIKey: DVLSQHLXPRYYRC-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C8H10O5/c1-8(2)12-6(9)5(4-11-3)7(10)13-8/h4H,1-3H3
(4)Std. InChIKey: DVLSQHLXPRYYRC-UHFFFAOYSA-N

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