2,3-Pentanedione (CAS 600-14-6) — formula C5H8O2, molecular weight 100.05 g/mol; category organic chemicals.
| CAS Number | 600-14-6 |
|---|---|
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.05 g/mol |
| Melting Point | -52 °C |
| Boiling Point | 109.9 °C |
| LogP | 0.1 |
| Applications | 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 |
| Category | Organic Chemicals |
Documented applications: 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-Pentanedione is a carbon-based organic compound with CAS registry number 600-14-6 and molecular formula C5H8O2 (molecular weight 100.05 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 600-14-6
Its molecular formula C5H8O2 comprises 5 C, 8 H, 2 O atoms.
Also known as: 2,3-Pentanedione · ACETYL PROPIONYL, NATURAL · ACETYL PROPIONYL
Category: organic chemicals
The CAS registry number of 2,3-Pentanedione is 600-14-6.
Molecular formula C5H8O2, molecular weight 100.05 g/mol.
It is also registered under: 2,3-Pentanedione, ACETYL PROPIONYL, NATURAL, ACETYL PROPIONYL.
Recorded applications: 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.
Category: Organic Chemicals.
Independent reference data for 2,3-Pentanedione (CAS 600-14-6), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2,3-Pentanedione