octyl 2-furoate (CAS 39251-88-2) — formula C13H20O3, molecular weight 224.30; category organic chemicals.
| CAS Number | 39251-88-2 |
|---|---|
| Molecular Formula | C13H20O3 |
| Molecular Weight | 224.30 |
| Boiling Point | 126.00 to 127.00 °C. @ 1.00 mm Hg |
| LogP | 4.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
octyl 2-furoate is a carbon-based organic compound with CAS registry number 39251-88-2 and molecular formula C13H20O3 (molecular weight 224.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 39251-88-2
Its molecular formula C13H20O3 comprises 13 C, 20 H, 3 O atoms.
Also known as: octyl 2-furoate · 2-糠酸辛酯
Category: organic chemicals
The CAS registry number of octyl 2-furoate is 39251-88-2.
Molecular formula C13H20O3, molecular weight 224.30.
It is also registered under: octyl 2-furoate, 2-糠酸辛酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for octyl 2-furoate (CAS 39251-88-2), compiled from public chemistry databases.
| CAS Registry Number | 39251-88-2 |
|---|---|
| PubChem CID | 62901 |
| Molecular formula | C13H20O3 |
| IUPAC name | octyl furan-2-carboxylate |
| UNII (FDA) | FO88UQ934J |
| FEMA number | 3518 |
| JECFA number | 750 |
| Molecular Weight | 224.30 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 224.14124450 |
| Monoisotopic Mass | 224.14124450 |
| Topological Polar Surface Area | 39.4 |
| Heavy Atom Count | 16 |
| Boiling Point | 126.00 to 127.00 °C. @ 1.00 mm Hg |
|---|---|
| Boiling Point | 126-127 °C (1 mm Hg) |
| Density | 0.984-0.990 |
| Refractive Index | 1.466-1.472 |
Octyl 2-furoate; octyl furan-2-carboxylate; Octyl 2-furancarboxylate; 2-Furancarboxylic acid, octyl ester; UNII-FO88UQ934J; FEMA No. 3518; FO88UQ934J; EINECS 254-378-9; 2-Furancarboxylic acid, n.-octyl ester; OCTYL 2-FUROATE [FHFI]; DTXSID30192503; RefChem:167862; DTXCID00114994; 254-378-9; WVTHGLPXSATJHZ-UHFFFAOYSA-N; 39251-88-2
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory JECFA ADI: 0-0.5 mg/kg bw |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
octyl 2-furoate · CAS 39251-88-2 · C13H20O3. UNII FO88UQ934J. Boiling Point: 126.00 to 127.00 °C. @ 1.00 mm Hg; Boiling Point: 126-127 °C (1 mm Hg); Density: 0.984-0.990.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-糠酸辛酯