Methyl cyclopentenolone hydrate
ALDRICH/W270036 - natural, 99%, FG
Synonym: Methyl cyclopentenolone hydrate; 3-
CAS Number: 1396995-49-5
Empirical Formula (Hill Notation): C6H8O2 · H2O
Molecular Weight: 130.14
MDL Number: MFCD00149069
Linear Formula: C6H8O2 · H2O
Product Type: Chemical
12 Principles of Green Chemistry: Principle 3—Less Hazardous Chemical Syntheses. This product manufacturing process was designed with lesser toxicity to human health and the environment.
12 Principles of Green Chemistry: Principle 7—A raw material or feedstock should be renewable rather than depleting whenever technically and economically practicable.
| application(s) | flavors and fragrances |
| assay | 99% |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| natural | |
| greener alternative category | Aligned  |
| greener alternative product characteristics | Less Hazardous Chemical Syntheses Use of Renewable Feedstocks Learn more about the Principles of Green Chemistry . |
| InChI | 1S/C6H8O2.H2O/c1-4-2-3-5( |
| InChI key | LDLRTLHIDXJSQW-UHFFFAOYSA |
| mp | 104-108 °C |
| organoleptic | caramel; maple |
| reg. compliance | EU Regulation 1334/2008 & 872/2012 |
| SMILES string | O.CC1CCC(=O)C1=O |
| solubility | ethanol: soluble |
| sustainability | Greener Alternative Product |
| 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. |
| General description: | Methyl cyclopentenolone hydrate is reported to be present in some electronic cigarettes. |
| General description: | 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". |
| Packaging: | 1 kg in poly bottle |
| Packaging: | 10, 25 kg in fiber drum |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-43 |
| Safety Statements | 26-36/37 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 2 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 99% |
| mp | 104-108 °C |
| FEMA Number | 2700 |
| UNSPSC | 12164502 |