W349700

cis-3-Hexenyl 2-methylbutanoate

FCC, FG

• Linear Formula: C₂H₅CH(CH₃)CO₂CH₂CH₂CH=CHC₂H₅
• CAS Number: 53398-85-9
• Molecular Weight: 184.28
• FEMA Number: 3497
• EC Number: 258-517-4
• Council of Europe no.: 2345
• MDL number: MFCD00036530
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830622
• Flavis number: 9.854
• NACRES: NA.21

Properties

• biological source: synthetic
• grade: FG; Halal; Kosher
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR 117
• assay: ≥97%
• refractive index: n20/D 1.432 (lit.)
• density: 0.878 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; fresh; green; fruity; pear; sweet
• SMILES string: [H]\C(CC)=C(/[H])CCOC(=O)C(C)CC
• InChI: 1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
• InChI key: JKKGTSUICJWEKB-SREVYHEPSA-N

Safety Information

• pictograms: GHS09
• hcodes: H411
• pcodes: P273
• Hazard Classifications: Aquatic Chronic 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 181.4 °F
• flash_point_c: 83 °C