W220205

Isobutyl hexanoate

≥98%, FG

• Synonym(s): Isobutyl caproate
• Linear Formula: CH₃(CH₂)₄CO₂CH₂CH(CH₃)₂
• CAS Number: 105-79-3
• Molecular Weight: 172.26
• FEMA Number: 2202
• EC Number: 203-332-6
• Council of Europe no.: 314
• MDL number: MFCD00048870
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900913
• Flavis number: 9.064
• NACRES: NA.21
• Organoleptic: apple; green; pineapple; sweet
• grade: FG; Halal
• biological source: synthetic
• Agency: meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• biological source: synthetic
• grade: FG; Halal
• Agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117; FDA 21 CFR 172.515
• Assay: ≥98%
• refractive index: n20/D 1.414 (lit.)
• bp: 348-350 °C (lit.)
• density: 0.856 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: apple; green; pineapple; sweet
• storage temp.: 2-8°C
• SMILES string: CCCCCC(=O)OCC(C)C
• InChI: 1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
• InChI key: UXUPPWPIGVTVQI-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Taste at 10 ppm

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319
• Precautionary Statements: P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P337 + P313
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 168.8 °F - closed cup
• Flash Point(C): 76 °C - closed cup