乙酰丙酸（CAS 123-76-2）：分子式 C5H8O3、分子量 116.11。
| CAS号 | 123-76-2 |
|---|---|
| 分子式 | C5H8O3 |
| 分子量 | 116.11 |
| 熔点 | 33 |
| 沸点 | 245.5 |
| LogP | -0.49 |
| 应用领域 | Uses: CIR ingredient: Levulinic Acid、Used to make nylon、synthetic rubber、plastic、and medicinals、[Merck Index] Used as a flavoring agent、[FDA] Used to flavor animal feeds、[ExPub: EFSA - FEEDAP]、Farming (Feed Additives) [Category: Industry]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Skin conditioning、Industry Uses: Laboratory chemicals、Intermediate、Consumer Uses: Intermediate、Household Products: Information on 1 consumer products that contain Levulinic Acid in the following categories is provided:、• Personal Care、U.S. Production: 2023: 50、000 - <250、000 lb、2022: 250、000 - <550、2021: 250、2020: 50、General Manufacturing Information: Plastics Material and Resin Manufacturing、Other (requires additional information)、Pentanoic acid、4-oxo-: ACTIVE |
登记用途：Uses: CIR ingredient: Levulinic Acid、Used to make nylon、synthetic rubber、plastic、and medicinals、[Merck Index] Used as a flavoring agent、[FDA] Used to flavor animal feeds、[ExPub: EFSA - FEEDAP]、Farming (Feed Additives) [Category: Industry]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Skin conditioning、Industry Uses: Laboratory chemicals、Intermediate、Consumer Uses: Intermediate、Household Products: Information on 1 consumer products that contain Levulinic Acid in the following categories is provided:、• Personal Care、U.S. Production: 2023: 50、000 - <250、000 lb、2022: 250、000 - <550、2021: 250、2020: 50、General Manufacturing Information: Plastics Material and Resin Manufacturing、Other (requires additional information)、Pentanoic acid、4-oxo-: ACTIVE。
乙酰丙酸 是一种化工化合物，登记 CAS 号为 123-76-2，分子式 C5H8O3（分子量 116.11）。
登记 CAS 号：123-76-2
其分子式 C5H8O3 由 5 个碳、8 个氢、3 个氧 组成。
别名/同义词：乙酰丙酸 · Levulinic acid
乙酰丙酸 的 CAS 登记号为 123-76-2。
分子式 C5H8O3，分子量 116.11。
别名/同义词：乙酰丙酸、Levulinic acid。
登记用途：Uses: CIR ingredient: Levulinic Acid、Used to make nylon、synthetic rubber、plastic、and medicinals、[Merck Index] Used as a flavoring agent、[FDA] Used to flavor animal feeds、[ExPub: EFSA - FEEDAP]、Farming (Feed Additives) [Category: Industry]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Cosmetics -> Skin conditioning、Industry Uses: Laboratory chemicals、Intermediate、Consumer Uses: Intermediate、Household Products: Information on 1 consumer products that contain Levulinic Acid in the following categories is provided:、• Personal Care、U.S. Production: 2023: 50、000 - <250、000 lb、2022: 250、000 - <550、2021: 250、2020: 50、General Manufacturing Information: Plastics Material and Resin Manufacturing、Other (requires additional information)、Pentanoic acid、4-oxo-: ACTIVE。
乙酰丙酸（CAS 123-76-2）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 123-76-2 |
|---|---|
| PubChem CID | 11579 |
| Molecular formula | C5H8O3 |
| Molecular weight | 116.05 g/mol |
| IUPAC name | 4-oxopentanoic acid |
| InChIKey | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| UNII (FDA) | RYX5QG61EI |
| ChEBI ID | CHEBI:45630 |
| FEMA number | 2627 |
| JECFA number | 606 |
| Molecular Weight | 116.11 |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.047344113 |
| Monoisotopic Mass | 116.047344113 |
| Topological Polar Surface Area | 54.4 |
| Heavy Atom Count | 8 |
| Boiling Point | 245.5 |
|---|---|
| Boiling Point | 245.00 to 246.00 °C. @ 760.00 mm Hg |
| Boiling Point | 245 °C |
| Melting Point | 33 |
| Melting Point | 30 - 33 °C |
| Density | 1.136-1.147 (20 °C) |
| LogP | -0.49 |
| Refractive Index | 1.439-1.445 |
| Dissociation Constants | 4.64 (at 18 °C) |
LEVULINIC ACID; 4-Oxopentanoic acid; 123-76-2; Laevulinic acid; Pentanoic acid, 4-oxo-; 4-Oxovaleric acid; Levulic acid; 4-Ketovaleric acid; gamma-Ketovaleric acid; LEVA; Acetopropionic acid; Levulinsaeure; Laevulic acid; beta-Acetylpropionic acid; Acidum laevulinicum; FEMA No. 2627
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit Not evaluated |
|---|
| Reported hazard statements | H302 (99.9%), H315 (88.6%), H317 (10.8%), H318 (10.8%), H319 (88.4%) |
|---|
H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation]
Levulinic acid is identified by CAS 123-76-2, molecular formula C5H8O3 and molecular weight 116.05 g/mol. UNII RYX5QG61EI; ChEBI 45630; InChIKey JOOXCMJARBKPKM-UHFFFAOYSA-N. Boiling Point: 245.5; Boiling Point: 245.00 to 246.00 °C. @ 760.00 mm Hg; Boiling Point: 245 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Levulinic acid