W220213

Isobutyl hexanoate

natural, ≥95%

• 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.: 314c
• MDL number: MFCD00048870
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900914
• Flavis number: 9.064

Properties

• grade: Halal; Kosher; natural
• reg. compliance: FDA 21 CFR 172.515
• assay: ≥95%
• 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
• 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

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319
• pcodes: P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 168.8 °F - closed cup
• flash_point_c: 76 °C - closed cup