4-methylpentane-2,3-dione (CAS 7493-58-5) — formula C6H10O2, molecular weight 114.14; category organic chemicals.
| CAS Number | 7493-58-5 |
|---|---|
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.14 |
| Melting Point | -2.40 °C. @ 760.00 mm Hg |
| Boiling Point | 116.00 to 118.00 °C. @ 760.00 mm Hg |
| LogP | 0.6 |
| Applications | Uses: Used as flavoring agent or adjuvant, [FDA], 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: Uses: Used as flavoring agent or adjuvant, [FDA], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
4-methylpentane-2,3-dione is a carbon-based organic compound with CAS registry number 7493-58-5 and molecular formula C6H10O2 (molecular weight 114.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7493-58-5
Its molecular formula C6H10O2 comprises 6 C, 10 H, 2 O atoms.
Also known as: 4-methylpentane-2,3-dione · 4-甲基-2,3-戊烷二酮 · 4-Methyl-2,3-pentanedione
Category: organic chemicals
The CAS registry number of 4-methylpentane-2,3-dione is 7493-58-5.
Molecular formula C6H10O2, molecular weight 114.14.
It is also registered under: 4-methylpentane-2,3-dione, 4-甲基-2,3-戊烷二酮, 4-Methyl-2,3-pentanedione.
Recorded applications: Uses: Used as flavoring agent or adjuvant, [FDA], 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 4-methylpentane-2,3-dione (CAS 7493-58-5), compiled from public chemistry databases.
| CAS Registry Number | 7493-58-5 |
|---|---|
| PubChem CID | 24115 |
| Molecular formula | C6H10O2 |
| Molecular weight | 114.07 g/mol |
| IUPAC name | 4-methylpentane-2,3-dione |
| InChIKey | JENYBWHRLYZSSZ-UHFFFAOYSA-N |
| UNII (FDA) | K372XXT72S |
| ChEBI ID | CHEBI:173383 |
| FEMA number | 2730 |
| JECFA number | 411 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 8 |
| Boiling Point | 116.00 to 118.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 116 °C |
| Melting Point | -2.40 °C. @ 760.00 mm Hg |
| Density | 0.941-0.950 (20 °C) |
| Refractive Index | 1.397-1.405 |
Acetyl isobutyryl; 4-Methylpentane-2,3-dione; 7493-58-5; 4-METHYL-2,3-PENTANEDIONE; 2,3-Pentanedione, 4-methyl-; FEMA No. 2730; acetylisobutyryl; UNII-K372XXT72S; Isopropylmethylglyoxal; K372XXT72S; FEMA 2730; EINECS 231-328-4; NSC-31666; DTXSID90864077; NSC 31666; 4-METHYL-2,3-PENTANEDIONE [FHFI]
| 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 |
|---|
| Reported hazard statements | H226 (100%), H317 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
4-Methyl-2,3-pentanedione is identified by CAS 7493-58-5, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII K372XXT72S; ChEBI 173383; InChIKey JENYBWHRLYZSSZ-UHFFFAOYSA-N. Boiling Point: 116.00 to 118.00 °C. @ 760.00 mm Hg; Boiling Point: 116 °C; Melting Point: -2.40 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-甲基-2,3-戊烷二酮