mono-tert-Butyl malonate , 97% , 40052-13-9

CAS NO.：40052-13-9

Empirical Formula: C7H12O4

Molecular Weight: 160.17

MDL number: MFCD00191886

EINECS: 628-204-0

PRODUCT Properties

• Melting point: 19-20 °C (lit.)
• Boiling point: 90 °C/2 mmHg (lit.)
• Density: 1.04 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.426(lit.)
• Flash point: 195 °F
• storage temp.: Sealed in dry,Room Temperature
• solubility: Soluble in ethanol.
• pka: 2.92±0.32(Predicted)
• form: Liquid
• color: Clear colorless
• BRN: 1765457
• InChI: InChI=1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
• InChIKey: NGGGZUAEOKRHMA-UHFFFAOYSA-N
• SMILES: C(OC(C)(C)C)(=O)CC(O)=O
• CAS DataBase Reference: 40052-13-9(CAS DataBase Reference)

Description and Uses

Mono-tert-Butyl malonates may be used in the preparation of the following:

• dendritic precursor to asymmetric methanofullerenes
• hapten-3,6-(O,S-dimethylthiophosphoramido)-6-oxohexanoic acid
• hapten-4,3-(O,S-dimethylthiophosphoramido)-3-oxopropanoic acid

Safety

• Symbol(GHS): GHS05,GHS06
• Signal word: Danger
• Hazard statements: H314-H330
• Precautionary statements: P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
• Hazard Codes: T
• Risk Statements: 26-34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 2922 8/PG 3
• WGK Germany: 3
• HazardClass: 8, 6.1
• PackingGroup: Ⅲ
• HS Code: 29171900
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)