W291307

Piperonyl isobutyrate

≥98%, FG

• Synonym(s): Heliotropyl isobutyrate, Isobutyric acid 3,4-methylenedioxybenzyl ester
• Empirical Formula (Hill Notation): C₁₂H₁₄O₄
• CAS Number: 5461-08-5
• Molecular Weight: 222.24
• FEMA Number: 2913
• EC Number: 226-745-3
• Council of Europe no.: 305
• MDL number: MFCD00005826
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901391
• Flavis number: 9.430
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 172.515
• assay: ≥98%
• refractive index: n20/D 1.511 (lit.)
• bp: 91-92 °C/0.005 mmHg (lit.)
• density: 1.154 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: berry; jam; fruity
• SMILES string: CC(C)C(=O)OCc1ccc2OCOc2c1
• InChI: 1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
• InChI key: RQULTIASPCVEFO-UHFFFAOYSA-N

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves