W336900

Isobutyl isovalerate

natural (US), ≥99%, FG

• Synonym(s): 2-Methylpropyl 3-methylbutyrate, Isobutyl 3-methyl butyrate
• Empirical Formula (Hill Notation): C₉H₁₈O₂
• CAS Number: 589-59-3
• Molecular Weight: 158.24
• FEMA Number: 3369
• EC Number: 209-653-8
• Council of Europe no.: 568
• MDL number: MFCD00048349
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830607
• Flavis number: 9.472
• NACRES: NA.21
• Organoleptic: apple; green; fruity; sweet
• grade: FG; Fragrance grade; Halal; Kosher; natural (US)
• Agency: follows IFRA guidelines
• food allergen: no known allergens

Properties

• grade: FG; Fragrance grade; Halal; Kosher; natural (US)
• Quality Level: 300
• Agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012
• Assay: ≥99%
• refractive index: n20/D 1.4060
• density: 0.851 g/mL at 25 °C
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: apple; green; fruity; sweet
• SMILES string: CC(C)COC(=O)CC(C)C
• InChI: 1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
• InChI key: KEBDNKNVCHQIJU-UHFFFAOYSA-N

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Precautionary Statements: P210 - P370 + P378
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 127.4 °F - closed cup
• Flash Point(C): 53.00 °C - closed cup