3,4-己二酮（CAS 4437-51-8）：分子式 C6H10O2、分子量 114.14。
| CAS号 | 4437-51-8 |
|---|---|
| 分子式 | C6H10O2 |
| 分子量 | 114.14 |
| 熔点 | -10 °C |
| 沸点 | 123.00 to 125.00 °C. @ 760.00 mm Hg |
| LogP | 0.5 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: 3、4-Hexanedione: ACTIVE |
登记用途：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-己二酮 是一种化工化合物，登记 CAS 号为 4437-51-8，分子式 C6H10O2（分子量 114.14）。
登记 CAS 号：4437-51-8
其分子式 C6H10O2 由 6 个碳、10 个氢、2 个氧 组成。
别名/同义词：3,4-己二酮 · 3,4-Hexanedione
3,4-己二酮 的 CAS 登记号为 4437-51-8。
分子式 C6H10O2，分子量 114.14。
别名/同义词：3,4-己二酮、3,4-Hexanedione。
登记用途：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-己二酮（CAS 4437-51-8）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3,4-Hexanedione