W350702

Isoamyl isobutyrate

≥98%, FG

• Synonym(s): 3-methylbutyl 2-methylpropanoate, Isopentyl isobutyrate
• Linear Formula: (CH₃)₂CHCH₂CH₂O₂CCH(CH₃)₂
• CAS Number: 2050-01-3
• Molecular Weight: 158.24
• FEMA Number: 3507
• EC Number: 218-078-1
• Council of Europe no.: 294
• MDL number: MFCD00053719
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901748
• Flavis number: 9.419
• NACRES: NA.21
• grade: FG; Halal; Kosher
• biological source: synthetic
• food allergen: no known allergens

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 1.406 (lit.)
• bp: 169-171 °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: green; waxy; fruity; sweet
• SMILES string: CC(C)CCOC(=O)C(C)C
• InChI: 1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
• InChI key: VFTGLSWXJMRZNB-UHFFFAOYSA-N

Description

General description

Isoamyl isobutyrate has been reported to be one of the hop aroma constituents in beer.

Safety Information

• Pictograms: GHS02
• Signal Word: Warning
• Hazard Statements: H226
• Hazard Classifications: Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 129.2 °F - closed cup
• Flash Point(C): 54 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves