3,4-Hexanedione (CAS 4437-51-8) — formula C6H10O2, molecular weight 114.07 g/mol; category organic chemicals.
| CAS Number | 4437-51-8 |
|---|---|
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.07 g/mol |
| Melting Point | -10 °C |
| Boiling Point | 123.00 to 125.00 °C. @ 760.00 mm Hg |
| LogP | 0.5 |
| Applications | Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 3, 4-Hexanedione: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 3, 4-Hexanedione: ACTIVE.
3,4-Hexanedione is a carbon-based organic compound with CAS registry number 4437-51-8 and molecular formula C6H10O2 (molecular weight 114.07 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4437-51-8
Its molecular formula C6H10O2 comprises 6 C, 10 H, 2 O atoms.
Also known as: 3,4-Hexanedione · 3,4-己二酮
Category: organic chemicals
The CAS registry number of 3,4-Hexanedione is 4437-51-8.
Molecular formula C6H10O2, molecular weight 114.07 g/mol.
It is also registered under: 3,4-Hexanedione, 3,4-己二酮.
Recorded applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 3, 4-Hexanedione: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 3,4-Hexanedione (CAS 4437-51-8), compiled from public chemistry databases.
| CAS Registry Number | 4437-51-8 |
|---|---|
| PubChem CID | 62539 |
| Molecular formula | C6H10O2 |
| Molecular weight | 114.07 g/mol |
| IUPAC name | hexane-3,4-dione |
| InChIKey | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
| UNII (FDA) | 4M4NPR5VGD |
| ChEBI ID | CHEBI:88652 |
| FEMA number | 3168 |
| JECFA number | 413 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 8 |
| Boiling Point | 123.00 to 125.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 130 °C |
| Melting Point | -10 °C |
| Density | 0.941-0.950 (20 °C) |
| Refractive Index | 1.408-1.413 |
3,4-HEXANEDIONE; 4437-51-8; hexane-3,4-dione; Diethyl diketone; 3,4-hexane dione; 3,4-hexandione; CCRIS 6295; DTXSID3047681; UNII-4M4NPR5VGD; 4M4NPR5VGD; EINECS 224-651-7; NSC 23255; NSC-23255; DTXCID1027681; 3,4-HEXANEDIONE [FHFI]; RefChem:91251
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fat No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H315 (94.9%), H319 (94.9%), H331 (94.9%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (94.9%): Causes skin irritation [Warning Skin corrosion/irritation]
3,4-Hexanedione is identified by CAS 4437-51-8, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII 4M4NPR5VGD; ChEBI 88652; InChIKey KVFQMAZOBTXCAZ-UHFFFAOYSA-N. Boiling Point: 123.00 to 125.00 °C. @ 760.00 mm Hg; Boiling Point: 130 °C; Melting Point: -10 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,4-己二酮