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
• organoleptic: caramel; maple
• grade: FG; Halal; Kosher; natural
• food allergen: no known allergens

Properties

• grade: FG; Halal; Kosher; natural
• Quality Level: 300
• reg. compliance: EU Regulation 1334/2008 & 872/2012
• assay: 99%
• greener alternative product characteristics: Less Hazardous Chemical Syntheses; Use of Renewable Feedstocks; Learn more about the Principles of Green Chemistry.
• sustainability: Greener Alternative Product
• mp: 104-108 °C
• solubility: ethanol: soluble
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• greener alternative category: Aligned
• 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.[1][2]

We are committed to bringing you greener alternative products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

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: 11 - Combustible Solids
• wgk_germany: WGK 2
• flash_point_f: Not applicable
• flash_point_c: Not applicable