Name | 2,2-Dimethyl-1,3-dioxane-4,6-dione |
Synonyms | Meldrums acid MELDRUMS ACID Meldrum's Acid MELDRUM'S ACID 'MELDRUM'S ACID' Isopropyl Malonate LABOTEST-BB LT00233174 Cycl-isopropylidene malonate 2,2-Dimethyl-1,3-dioxane-4,6-dione MALONIC ACID CYCLIC ISOPROPYLIDENE ESTER Malonic acid cyclic isopropylidene ester Meldrum's acid, Malonic acid cyclic isopropylidene ester |
CAS | 2033-24-1 |
EINECS | 217-992-8 |
InChI | InChI=1/C6H8O4/c7-3-5-4(10-5)2-1-8-6(3)9-2/h2-7H,1H2 |
InChIKey | GXHFUVWIGNLZSC-UHFFFAOYSA-N |
Molecular Formula | C6H8O4 |
Molar Mass | 144.13 |
Density | 1.1311 (rough estimate) |
Melting Point | 92-96°C(lit.) |
Boling Point | 182.71°C (rough estimate) |
Flash Point | 150.1°C |
Water Solubility | 2.5 g/100 mL (20 ºC) |
Solubility | dioxane: soluble5%, clear to very slightly hazy, colorless to faintly yellow |
Vapor Presure | 0.044-133Pa at 25℃ |
Appearance | Crystalline powder |
Color | Brownish-white to beige-brown |
Merck | 14,5817 |
BRN | 117310 |
pKa | 5.1(at 25℃) |
Storage Condition | 2-8°C |
Refractive Index | 1.4434 (estimate) |
MDL | MFCD00006638 |
Physical and Chemical Properties | Appearance: White Crystal Melting Point: 94-98 ℃ |
Use | It is obtained by condensation of aldol and reduction with triethylamine formaldehyde. The benzyl-substituted Michaelis acid is Friedel-Crafts cyclized through hydrolysis, loss of CO2 and chlorosulfonic acid to produce 2, 3-dihydro-2-indanone. Accelerated Noorengel concentration reaction between aldehyde and Michaelis acid in ionic liquid (Knoevenagel condensations). |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R45 - May cause cancer |
Safety Description | S37/39 - Wear suitable gloves and eye/face protection S24/25 - Avoid contact with skin and eyes. S53 - Avoid exposure - obtain special instructions before use. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 3 |
RTECS | JH0800000 |
FLUKA BRAND F CODES | 10-21 |
TSCA | Yes |
HS Code | 29322090 |
Hazard Class | IRRITANT |