Methyl hydrogen malonate supplier

Name
MONOMETHYL MALONATE
EINECS
CAS No. 16695-14-0
Article Data7
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point
Formula C₄H₆O₄
Boiling Point 232.1 °C at 760 mmHg
Molecular Weight 118.089
Flash Point 103.7 °C
Transport Information
Appearance
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Methyl malonate;Monomethyl malonate;Propanedioicacid, monomethyl ester (9CI);(Methoxycarbonyl)acetic acid;3-Methoxy-3-oxopropanoic acid;Hydrogen methyl malonate;Methyl hydrogenmalonate;Malonic acid, monomethyl ester (8CI);Malonicacid, methyl ester (6CI);
PSA 63.60000
LogP -0.36590

Methyl hydrogen malonate Specification

The CAS registry number of Methyl hydrogen malonate is 16695-14-0. This chemical is also named as (Methoxycarbonyl)acetic acid. In addition, its molecular formula is C₄H₆O₄ and molecular weight is 118.09. Its systematic name is called 3-methoxy-3-oxopropanoic acid.

Physical properties about Methyl hydrogen malonate are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.82; (4)ACD/LogD (pH 7.4): -3.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.429; (13)Molar Refractivity: 23.91 cm³; (14)Molar Volume: 92.6 cm³; (15)Surface Tension: 43.3 dyne/cm; (16)Density: 1.274 g/cm³; (17)Flash Point: 103.7 °C; (18)Enthalpy of Vaporization: 51.64 kJ/mol; (19)Boiling Point: 232.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0211 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,2-dimethyl-[1,3]dioxane-4,6-dione and methanol. This reaction will need solvent acetonitrile. The reaction time is 20 hours by heating. The yield is about 65 %.

Methyl hydrogen malonate can be prepared by 2,2-dimethyl-[1,3]dioxane-4,6-dione and methanol

Uses of Methyl hydrogen malonate: it can be used to produce 3-methoxy-4-hydroxy-5-brom-zimtsaeuremethylester at temperature of 100 °C. It will need reagent pyrrolidine and solvent pyridine with reaction time of 6 hours. The yield is about 98 %.

Methyl hydrogen malonate can be used to produce 3-methoxy-4-hydroxy-5-brom-zimtsaeuremethylester

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(=O)OC
(2)InChI: InChI=1/C4H6O4/c1-8-4(7)2-3(5)6/h2H2,1H3,(H,5,6)
(3)InChIKey: PBVZQAXFSQKDKK-UHFFFAOYAM(5)

Product Name

MONOMETHYL MALONATE

Methyl hydrogen malonate Specification

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