2,3-戊二酮（CAS 600-14-6）：分子式 C5H8O2、分子量 100.12。
| CAS号 | 600-14-6 |
|---|---|
| 分子式 | C5H8O2 |
| 分子量 | 100.12 |
| 熔点 | -52 °C |
| 沸点 | 109.9 °C |
| LogP | 0.1 |
| 应用领域 | Uses: Used as flavoring agent or adjuvant、[FDA] Used as a substitute for diacetyl in food flavoring and food production、[Reference #1]、Flavors of butterscotch and chocolate type、... used as aroma components in alcohol-free beverages and in baked goods.、2、3-Pentanedione and acetoin were detected in 23 and 46 of the 51 flavors、of e-cigarettes、tested at concentrations up to 64 and 529 ug、e-cigarette、respectively.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8339]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride under a nitrogen blanket.、Processes used include oxidation of the corresponding diols over a copper or silver catalyst、or selective oxidation of the methylene group in the corresponding methyl alkyl ketones with oxygen in the presence of catalysts such as nickel.、Formulations、Preparations: Grade: 99%、U.S. Production: 2021: 26 lb、General Manufacturing Information: 2、3-Pentanedione: ACTIVE |
登记用途：Uses: Used as flavoring agent or adjuvant、[FDA] Used as a substitute for diacetyl in food flavoring and food production、[Reference #1]、Flavors of butterscotch and chocolate type、... used as aroma components in alcohol-free beverages and in baked goods.、2、3-Pentanedione and acetoin were detected in 23 and 46 of the 51 flavors、of e-cigarettes、tested at concentrations up to 64 and 529 ug、e-cigarette、respectively.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8339]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride under a nitrogen blanket.、Processes used include oxidation of the corresponding diols over a copper or silver catalyst、or selective oxidation of the methylene group in the corresponding methyl alkyl ketones with oxygen in the presence of catalysts such as nickel.、Formulations、Preparations: Grade: 99%、U.S. Production: 2021: 26 lb、General Manufacturing Information: 2、3-Pentanedione: ACTIVE。
2,3-戊二酮 是一种化工化合物，登记 CAS 号为 600-14-6，分子式 C5H8O2（分子量 100.12）。
登记 CAS 号：600-14-6
其分子式 C5H8O2 由 5 个碳、8 个氢、2 个氧 组成。
别名/同义词：2,3-戊二酮 · ACETYL PROPIONYL, NATURAL · ACETYL PROPIONYL · 2,3-Pentanedione
2,3-戊二酮 的 CAS 登记号为 600-14-6。
分子式 C5H8O2，分子量 100.12。
别名/同义词：2,3-戊二酮、ACETYL PROPIONYL, NATURAL、ACETYL PROPIONYL、2,3-Pentanedione。
登记用途：Uses: Used as flavoring agent or adjuvant、[FDA] Used as a substitute for diacetyl in food flavoring and food production、[Reference #1]、Flavors of butterscotch and chocolate type、... used as aroma components in alcohol-free beverages and in baked goods.、2、3-Pentanedione and acetoin were detected in 23 and 46 of the 51 flavors、of e-cigarettes、tested at concentrations up to 64 and 529 ug、e-cigarette、respectively.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association、1994) [Table#8339]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Consumer Uses: Fragrance、Methods of Manufacturing: By oxidation of methyl propyl ketone with excess NaNO2 and diluted HCl in the presence of hydroxylamine hydrochloride under a nitrogen blanket.、Processes used include oxidation of the corresponding diols over a copper or silver catalyst、or selective oxidation of the methylene group in the corresponding methyl alkyl ketones with oxygen in the presence of catalysts such as nickel.、Formulations、Preparations: Grade: 99%、U.S. Production: 2021: 26 lb、General Manufacturing Information: 2、3-Pentanedione: ACTIVE。
2,3-戊二酮（CAS 600-14-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 600-14-6 |
|---|---|
| PubChem CID | 11747 |
| Molecular formula | C5H8O2 |
| Molecular weight | 100.05 g/mol |
| IUPAC name | pentane-2,3-dione |
| InChIKey | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| UNII (FDA) | K4WBE45SCM |
| ChEBI ID | CHEBI:52774 |
| FEMA number | 2841 |
| JECFA number | 410 |
| Molecular Weight | 100.12 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 100.052429494 |
| Monoisotopic Mass | 100.052429494 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 7 |
| Boiling Point | 109.9 °C |
|---|---|
| Boiling Point | 108 °C |
| Boiling Point | 230-234 °F |
| Melting Point | -52 °C |
| Melting Point | -61.6 °F |
| Flash Point | 19 °C (66 °F) - open cup |
| Flash Point | 66 °F |
| Solubility | In water, 6.67X10+4 at 15 °C |
| Solubility | 66.7 mg/mL at 15 °C |
| Density | 0.979-0.985 |
2,3-PENTANEDIONE; pentane-2,3-dione; 600-14-6; Acetylpropionyl; Acetyl propionyl; 2,3-Pentadione; FEMA No. 2841; K4WBE45SCM; DTXSID6051435; NSC-7613; CHEBI:52774; RefChem:442619; DTXCID5030036; 209-984-8; Acetylpropionyl (VAN); 2,3-pentandione
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent Secondary components do not raise a safety concern. |
|---|
| Reported hazard statements | H225 (98.6%), H317 (92%), H318 (91.8%), H373 (91.9%), H370, H372, H315, H319 |
|---|
H225 (98.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H317 (92%): May cause an allergic skin reaction [Warning Sensitization, Skin]
2,3-Pentanedione is identified by CAS 600-14-6, molecular formula C5H8O2 and molecular weight 100.05 g/mol. UNII K4WBE45SCM; ChEBI 52774; InChIKey TZMFJUDUGYTVRY-UHFFFAOYSA-N. Boiling Point: 109.9 °C; Boiling Point: 108 °C; Boiling Point: 230-234 °F.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: ACETYL PROPIONYL, NATURAL