W378917

3-(Methylthio)hexyl acetate

≥97%, FG

• Synonym(s): lychee mercaptan acetate
• Empirical Formula (Hill Notation): C₉H₁₈O₂S
• CAS Number: 51755-85-2
• Molecular Weight: 190.30
• FEMA Number: 3789
• MDL number: MFCD00236623
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901880
• Flavis number: 12.236
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Halal; Kosher
• reg. compliance: EU Regulation 1334/2008 & 872/2012
• assay: ≥97%
• refractive index: n/D 1.4640
• bp: 216 °C (lit.)
• density: 0.985 g/mL at 20 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: green; vegetable; sulfurous
• SMILES string: CCCC(CCOC(C)=O)SC
• InChI: 1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3
• InChI key: VIQXICKUKPVFRK-UHFFFAOYSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315
• Hazard Classifications: Skin Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 168.8 °F - closed cup
• flash_point_c: 76 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter