W208507

Isoamyl isovalerate

≥98%, FCC, FG

• Synonym(s): Isopentyl 3-methylbutyrate, Isopentyl isovalerate
• Linear Formula: (CH₃)₂CHCH₂CO₂CH₂CH₂CH(CH₃)₂
• CAS Number: 659-70-1
• Molecular Weight: 172.26
• FEMA Number: 2085
• EC Number: 211-536-1
• Council of Europe no.: 458
• MDL number: MFCD00048369
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900854
• Flavis number: 9.463
• NACRES: NA.21
• organoleptic: apple; green; fruity; sweet
• grade: FG; Halal; Kosher
• biological source: synthetic
• agency: meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 300; 400
• grade: FG; Halal; Kosher
• agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• assay: ≥98%
• impurities: <30% 2-methylbutyl isovalerate
• refractive index: n20/D 1.412 (lit.)
• bp: 192-193 °C (lit.)
• density: 0.854 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; fruity; sweet
• SMILES string: CC(C)CCOC(=O)CC(C)C
• InChI: 1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3
• InChI key: XINCECQTMHSORG-UHFFFAOYSA-N

Description

General description

Isoamyl isovalerate is an apple flavor volatile compound mainly found in apple and banana. It is used as a flavoring agent in chewing gums, candies and baked goods.

Application

• Evaluation of PTR-ToF-MS as a tool to track the behavior of hop-derived compounds during the fermentation of beer.: This study discusses the use of isoamyl isovalerate in tracking fermentation processes, impacting flavor development in beer production (Richter et al., 2018).

Safety Information

• pictograms: GHS09
• hcodes: H411
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Chronic 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 176.0 °F - closed cup
• flash_point_c: 80 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter