W270036

Methyl cyclopentenolone hydrate

natural, 99%, FG

• Synonym(s): Methyl cyclopentenolone hydrate, 3-Methylcyclopentane-1,2-dione hydrate, Cyclotene hydrate
• Empirical Formula (Hill Notation): C₆H₈O₂ · H₂O
• CAS Number: 1396995-49-5
• Molecular Weight: 130.14
• FEMA Number: 2700
• Council of Europe no.: 758
• MDL number: MFCD00149069
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830521
• Flavis number: 7.056
• NACRES: NA.21

Properties

• grade: FG; Halal; Kosher; natural
• Quality Level: 400
• reg. compliance: EU Regulation 1334/2008 & 872/2012
• Assay: 99%
• mp: 104-108 °C
• solubility: ethanol: soluble
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: caramel; maple
• SMILES string: O.CC1CCC(=O)C1=O
• InChI: 1S/C6H8O2.H2O/c1-4-2-3-5(7)6(4)8;/h4H,2-3H2,1H3;1H2
• InChI key: LDLRTLHIDXJSQW-UHFFFAOYSA-N

Description

General description

Methyl cyclopentenolone hydrate is reported to be present in some electronic cigarettes.

Application

This material is found primarily as the enol form (CAS 80-71-7) in its pure, anhydrous state. Readily forms the diketone form (CAS 765-70-8) in solution.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable