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
application(s) | flavors and fragrances |
assay | 99% |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
grade | FG |
Halal | |
Kosher | |
natural | |
InChI | 1S/C6H8O2.H2O/c1-4-2-3-5( |
InChI key | LDLRTLHIDXJSQW-UHFFFAOYSA |
mp | 104-108 °C |
organoleptic | caramel; maple |
Quality Level | 400 ![]() |
reg. compliance | EU Regulation 1334/2008 & 872/2012 |
SMILES string | O.CC1CCC(=O)C1=O |
solubility | ethanol: soluble |
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. |
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 |