W351200

2-Methyltetrahydrothiophen-3-one

≥97%, FG

• Synonym(s): blackberry thiophenone
• Empirical Formula (Hill Notation): C₅H₈OS
• CAS Number: 13679-85-1
• Molecular Weight: 116.18
• FEMA Number: 3512
• EC Number: 237-183-3
• Council of Europe no.: 11601
• MDL number: MFCD00078280
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830624
• Flavis number: 15.023
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Kosher
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• Assay: ≥97%
• refractive index: n20/D 1.508 (lit.)
• bp: 82 °C/28 mmHg (lit.)
• density: 1.119 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; sulfurous
• SMILES string: CC1SCCC1=O
• InChI: 1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
• InChI key: YMZZPMVKABUEBL-UHFFFAOYSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 159.8 °F
• Flash Point(C): 71 °C