W257508

Hexyl octanoate

≥97%, FG

• Linear Formula: CH₃(CH₂)₆CO₂(CH₂)₅CH₃
• CAS Number: 1117-55-1
• Molecular Weight: 228.37
• FEMA Number: 2575
• EC Number: 214-247-9
• Council of Europe no.: 394
• MDL number: MFCD00048920
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901166
• Flavis number: 9.113
• NACRES: NA.21
• grade: FG; Kosher
• biological source: synthetic
• food allergen: no known allergens

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Kosher
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117; FDA 21 CFR 172.515
• Assay: ≥97%
• refractive index: n20/D 1.431 (lit.)
• bp: 307 °C (lit.)
• density: 0.86 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; fruity
• SMILES string: CCCCCCCC(=O)OCCCCCC
• InChI: 1S/C14H28O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h3-13H2,1-2H3
• InChI key: PBGWNXWNCSSXCO-UHFFFAOYSA-N

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves