W256803

Hexyl butyrate

≥98%, FG

• Synonym(s): Hexyl butanoate
• Linear Formula: CH₃CH₂CH₂CO₂(CH₂)₅CH₃
• CAS Number: 2639-63-6
• Molecular Weight: 172.26
• FEMA Number: 2568
• EC Number: 220-136-6
• Council of Europe no.: 271
• MDL number: MFCD00048884
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901160
• Flavis number: 9.045
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines; meets purity specifications of JECFA
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117; FDA 21 CFR 172.515
• Assay: ≥98%
• refractive index: n20/D 1.417 (lit.)
• bp: 205 °C (lit.)
• density: 0.851 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: green; waxy; fruity; sweet
• SMILES string: CCCCCCOC(=O)CCC
• InChI: 1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
• InChI key: XAPCMTMQBXLDBB-UHFFFAOYSA-N

Description

General description

Hexyl butyrate occurs naturally in apples and yellow passion fruit. It is one of the main volatile chemicals released by the plant bug, Lygus hesperus and Lygus lineolaris when they are attacked or disturbed.

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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves