W218715

Isobutyl butyrate

natural, ≥98%, FCC, FG

• Synonym(s): 2-Methylpropyl butanoate, 2-Methylpropyl butyrate, Isobutyl butanoate, NSC 406938
• Linear Formula: CH₃CH₂CH₂CO₂CH₂CH(CH₃)₂
• CAS Number: 539-90-2
• Molecular Weight: 144.21
• FEMA Number: 2187
• EC Number: 208-729-8
• Council of Europe no.: 269c
• MDL number: MFCD00027134
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900901
• Flavis number: 9.043
• NACRES: NA.21

Properties

• grade: FG; Fragrance grade; Halal; Kosher; natural
• Quality Level: 400
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117
• vapor density: 5 (vs air)
• Assay: ≥98%
• refractive index: n20/D 1.403 (lit.)
• bp: 157-158 °C (lit.)
• density: 0.861 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: berry; fruity; sweet
• SMILES string: CCCC(=O)OCC(C)C
• InChI: 1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
• InChI key: RGFNRWTWDWVHDD-UHFFFAOYSA-N

Description

General description

Isobutyl butyrate is an aliphatic ester that can be used as a food flavoring agent. It is one of the volatile flavor compounds produced in ripening bananas.

Safety Information

• Pictograms: GHS02,GHS09
• Signal Word: Warning
• Hazard Statements: H226,H411
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P273
• Hazard Classifications: Aquatic Chronic 2 - Flam. Liq. 3
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 114.8 °F - closed cup
• Flash Point(C): 46 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves