W220108

Butyl hexanoate

≥98%, FG

• Synonym(s): Butyl caproate, Hexanoic acid butyl ester, NSC 4022
• Linear Formula: CH₃(CH₂)₄CO₂(CH₂)₃CH₃
• CAS Number: 626-82-4
• Molecular Weight: 172.26
• FEMA Number: 2201
• EC Number: 210-964-6
• Council of Europe no.: 313
• MDL number: MFCD00053804
• UNSPSC Code: 12164502
• PubChem Substance ID: 24900912
• Flavis number: 9.063
• NACRES: NA.21
• Organoleptic: berry; fruity
• grade: FG; Halal; Kosher
• biological source: synthetic
• Agency: meets purity specifications of JECFA
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• 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 1.416 (lit.)
• bp: 61-62 °C/3 mmHg (lit.)
• density: 0.866 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: berry; fruity
• SMILES string: CCCCCC(=O)OCCCC
• InChI: 1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3
• InChI key: RPRPDTXKGSIXMD-UHFFFAOYSA-N

Description

General description

Butyl hexanoate is an aliphatic ester that can be used as a flavoring agent. It is one of the main volatile compounds found in apples. Along with red sticky sphere traps, butyl hexanoate can also act as an odor lure for apple maggot flies.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 177.8 °F - closed cup
• Flash Point(C): 81 °C - closed cup