W221811

Butyl isovalerate

natural, FG

• Linear Formula: (CH₃)₂CHCH₂COO(CH₂)₃CH₃
• CAS Number: 109-19-3
• Molecular Weight: 158.24
• FEMA Number: 2218
• Beilstein: 1752803
• EC Number: 203-654-7
• Council of Europe no.: 444
• MDL number: MFCD00048775
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830464
• Flavis number: 9.449
• NACRES: NA.21

Properties

• grade: FG; Fragrance grade; Kosher; natural
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• Assay: 98%
• refractive index: n20/D 1.409 (lit.)
• bp: 175 °C (lit.)
• density: 0.858 g/mL at 25 °C (lit.)
• 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; peach; pineapple; sweet
• SMILES string: CCCCOC(=O)CC(C)C
• InChI: 1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
• InChI key: AYWJSCLAAPJZEF-UHFFFAOYSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 143.6 °F - closed cup
• Flash Point(C): 62 °C - closed cup