W272108

Methyl 4-methylvalerate

≥97%

• Synonym(s): Methyl isocaproate
• Linear Formula: (CH₃)₂CHCH₂CH₂CO₂CH₃
• CAS Number: 2412-80-8
• Molecular Weight: 130.18
• FEMA Number: 2721
• EC Number: 219-320-9
• Council of Europe no.: 322
• MDL number: MFCD00191236
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901287
• Flavis number: 9.432
• NACRES: NA.21

Properties

• biological source: synthetic
• assay: ≥97%
• refractive index: n20/D 1.404 (lit.)
• bp: 139-140 °C (lit.)
• density: 0.888 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• organoleptic: banana; fruity; pineapple; sweet
• SMILES string: COC(=O)CCC(C)C
• InChI: 1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
• InChI key: KBCOVKHULBZKNY-UHFFFAOYSA-N

Safety Information

• pictograms: GHS02
• signalword: Warning
• hcodes: H226
• pcodes: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 102.2 °F - closed cup
• flash_point_c: 39 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter