ACETYL PROPIONYL (CAS 600-14-6) — formula C5H8O2, molecular weight 100.12; 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.
ACETYL PROPIONYL is a carbon-based organic compound with CAS registry number 600-14-6 and molecular formula C5H8O2 (molecular weight 100.12), 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: ACETYL PROPIONYL · ACETYL PROPIONYL, NATURAL · 2,3-Pentanedione
Category: organic chemicals
The CAS registry number of ACETYL PROPIONYL is 600-14-6.
Molecular formula C5H8O2, molecular weight 100.12.
It is also registered under: ACETYL PROPIONYL, ACETYL PROPIONYL, NATURAL, 2,3-Pentanedione.
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.
Public-database records for ACETYL PROPIONYL (CAS 600-14-6), reproduced here for independent cross-checking.
| Reported hazard statements | H225 (98.6%), H317 (92%), H318 (91.8%), H373 (91.9%), H370, H372, H315, H319 |
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H225 (98.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H317 (92%): May cause an allergic skin reaction [Warning Sensitization, Skin]
| 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. |
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| 沸点 | 109.9 °C |
|---|---|
| 沸点 | 108 °C |
| 沸点 | 230-234 °F |
| 熔点 | -52 °C |
| 熔点 | -61.6 °F |
| 闪点 | 19 °C (66 °F) - open cup |
| 闪点 | 66 °F |
| 溶解度 | In water, 6.67X10+4 at 15 °C |
| 溶解度 | 66.7 mg/mL at 15 °C |
| 密度 | 0.979-0.985 |
| CAS Registry Number | 600-14-6 |
|---|---|
| PubChem CID | 11747 |
| 分子式 | C5H8O2 |
| 分子量 | 100.05 g/mol |
| IUPAC 名称 | pentane-2,3-dione |
| InChIKey | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| UNII（FDA） | K4WBE45SCM |
| ChEBI 编号 | CHEBI:52774 |
| FEMA 编号 | 2841 |
| JECFA 编号 | 410 |
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
| 分子量 | 100.12 |
|---|---|
| XLogP3 | 0.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 2 |
| 精确质量 | 100.052429494 |
| 单同位素质量 | 100.052429494 |
| 拓扑极性表面积 | 34.1 |
| 重原子数 | 7 |
| 形式电荷 | 0 |
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. 沸点: 109.9 °C; 沸点: 108 °C; 沸点: 230-234 °F.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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