186597

Dimethyl 3-methylglutaconate, mixture of cis and trans

95%

• Linear Formula: CH₃O₂CCH₂C(CH₃)=CHCO₂CH₃
• CAS Number: 52313-87-8
• Molecular Weight: 172.18
• EC Number: 257-839-2
• MDL number: MFCD00008463
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851230

Properties

• assay: 95%
• refractive index: n20/D 1.456 (lit.)
• bp: 109-110 °C/12 mmHg (lit.)
• density: 1.095 g/mL at 25 °C (lit.)
• SMILES string: COC(=O)C\C(C)=C\C(=O)OC
• InChI: 1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h4H,5H2,1-3H3/b6-4+
• InChI key: GBQBEQOEGMZCOH-GQCTYLIASA-N

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 208.4 °F - closed cup
• flash_point_c: 98 °C - closed cup