2,5-Dimethyl-3-Oxo-(2H)-fur-4-yl butyrate (CAS 114099-96-6) — formula C10H14O4, molecular weight 198.22.
| CAS Number | 114099-96-6 |
|---|---|
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.22 |
| Boiling Point | 287 °C |
| LogP | 1.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
2,5-Dimethyl-3-Oxo-(2H)-fur-4-yl butyrate is a chemical compound with CAS registry number 114099-96-6 and molecular formula C10H14O4 (molecular weight 198.22).
CAS number: 114099-96-6
Its molecular formula C10H14O4 comprises 10 C, 14 H, 4 O atoms.
Also known as: 2,5-Dimethyl-3-Oxo-(2H)-fur-4-yl butyrate · Furanone Butyrate · Fraision Butyrate
The CAS registry number of 2,5-Dimethyl-3-Oxo-(2H)-fur-4-yl butyrate is 114099-96-6.
Molecular formula C10H14O4, molecular weight 198.22.
It is also registered under: 2,5-Dimethyl-3-Oxo-(2H)-fur-4-yl butyrate, Furanone Butyrate, Fraision Butyrate.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Independent reference data for 2,5-Dimethyl-3-Oxo-(2H)-fur-4-yl butyrate (CAS 114099-96-6), compiled from public chemistry databases.
| CAS Registry Number | 114099-96-6 |
|---|---|
| PubChem CID | 19872333 |
| Molecular formula | C10H14O4 |
| IUPAC name | (2,5-dimethyl-4-oxofuran-3-yl) butanoate |
| UNII (FDA) | 9DX0J398K6 |
| FEMA number | 3970 |
| JECFA number | 1519 |
| Molecular Weight | 198.22 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 198.08920892 |
| Monoisotopic Mass | 198.08920892 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 14 |
| Boiling Point | 287 °C |
|---|---|
| Density | 1.095-1.103 |
| Refractive Index | 1.467-1.473 |
114099-96-6; 4-BUTYROXY-2,5-DIMETHYL-3(2H)-FURANONE; furaneyl butyrate; Butanoic acid, 4,5-dihydro-2,5-dimethyl-4-oxo-3-furanyl ester; FEMA No. 3970; 2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate; 9DX0J398K6; 4,5-DIHYDRO-2,5-DIMETHYL-4-OXO-3-FURANYL BUTYRATE; 2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate [FIFH]; 2,5-DIMETHYL-3-OXO-(2H)-FUR-4-YL BUTYRATE [FHFI]; 2,5-Dimethyl-3-oxo-(2H)-fur-4-yl butyrate (FIFH); RefChem:520648; (+-)-2,5-DIMETHYL-3-OXO-(2H)-FUR-4-YL BUTYRATE; 2,5-DIMETHYL-3-OXO-(2H)-FUR-4-YL BUTYRATE, (+-)-; 601-298-0; 928-463-2
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
2,5-Dimethyl-3-Oxo-(2H)-fur-4-yl butyrate · CAS 114099-96-6 · C10H14O4. UNII 9DX0J398K6. Boiling Point: 287 °C; Density: 1.095-1.103; Refractive Index: 1.467-1.473.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.