4,5-Octanedione (CAS 5455-24-3) — formula C8H14O2, molecular weight 142.10 g/mol.
| CAS Number | 5455-24-3 |
|---|---|
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.10 g/mol |
| Boiling Point | 68-70 °C (20 mm Hg) |
| LogP | 1.2 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
4,5-Octanedione is a chemical compound with CAS registry number 5455-24-3 and molecular formula C8H14O2 (molecular weight 142.10 g/mol).
CAS number: 5455-24-3
Its molecular formula C8H14O2 comprises 8 C, 14 H, 2 O atoms.
Also known as: 4,5-Octanedione · 4,5-辛二酮
The CAS registry number of 4,5-Octanedione is 5455-24-3.
Molecular formula C8H14O2, molecular weight 142.10 g/mol.
It is also registered under: 4,5-Octanedione, 4,5-辛二酮.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Independent reference data for 4,5-Octanedione (CAS 5455-24-3), compiled from public chemistry databases.
| CAS Registry Number | 5455-24-3 |
|---|---|
| PubChem CID | 138508 |
| Molecular formula | C8H14O2 |
| Molecular weight | 142.10 g/mol |
| IUPAC name | octane-4,5-dione |
| InChIKey | XYZAPOXYXNIBEU-UHFFFAOYSA-N |
| UNII (FDA) | 9OCI30QIY0 |
| FEMA number | 4533 |
| JECFA number | 2037 |
| Molecular Weight | 142.20 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 142.099379685 |
| Monoisotopic Mass | 142.099379685 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 10 |
| Boiling Point | 68-70 °C (20 mm Hg) |
|---|---|
| Density | 0.908-0.918 (20 °C) |
| Refractive Index | 1.414-1.424 |
4,5-Octanedione; 5455-24-3; Bibutyryl; n-Octane-4,5-dione; 4,5-Octadione; UNII-9OCI30QIY0; 9OCI30QIY0; DIPROPYL DIKETONE; NSC-23256; FEMA NO. 4533; DTXSID50202971; NSC 23256; Di-n-butyryl; RefChem:96565; DTXCID80125462; 611-166-4
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|
4,5-Octanedione is identified by CAS 5455-24-3, molecular formula C8H14O2 and molecular weight 142.10 g/mol. UNII 9OCI30QIY0; InChIKey XYZAPOXYXNIBEU-UHFFFAOYSA-N. Boiling Point: 68-70 °C (20 mm Hg); Density: 0.908-0.918 (20 °C); Refractive Index: 1.414-1.424.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4,5-辛二酮