Ethyl acetylpropanoate (CAS 539-88-8) — formula C7H12O3, molecular weight 144.08 g/mol.
Documented applications: Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Pentanoic acid, 4-oxo-, ethyl ester: ACTIVE.
Ethyl acetylpropanoate is a chemical compound with CAS registry number 539-88-8 and molecular formula C7H12O3 (molecular weight 144.08 g/mol).
CAS number: 539-88-8
Its molecular formula C7H12O3 comprises 7 C, 12 H, 3 O atoms.
Also known as: Ethyl acetylpropanoate · Ethyl levulinate
The CAS registry number of Ethyl acetylpropanoate is 539-88-8.
Molecular formula C7H12O3, molecular weight 144.08 g/mol.
It is also registered under: Ethyl acetylpropanoate, Ethyl levulinate.
Recorded applications: Use Classification: EPA Safer Chemical Functional Use Classes -> Solvents, Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern, Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Pentanoic acid, 4-oxo-, ethyl ester: ACTIVE.
Public-database records for Ethyl acetylpropanoate (CAS 539-88-8), reproduced here for independent cross-checking.
| GHS 通报统计 | 90% (1583 / 1758) |
|---|
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 90% (1583 / 1758) |
| 沸点 | 93.00 to 94.00 °C. @ 18.00 mm Hg |
|---|---|
| 沸点 | 93-94 °C (18 mm Hg); 105 °C (24 mm Hg) |
| 熔点 | < 25 °C |
| 密度 | 1.009-1.014 |
| 折射率 | 1.420-1.425 |
| CAS 号 | 539-88-8 |
|---|---|
| PubChem CID | 10883 |
| 分子式 | C7H12O3 |
| 分子量 | 144.08 g/mol |
| IUPAC 名称 | ethyl 4-oxopentanoate |
| InChIKey | GMEONFUTDYJSNV-UHFFFAOYSA-N |
| UNII（FDA） | 7BU24CSS2G |
| ChEBI 编号 | CHEBI:169371 |
| FEMA 编号 | 2442 |
| JECFA 编号 | 607 |
ETHYL LEVULINATE; Ethyl 4-oxopentanoate; 539-88-8; Ethyl 4-ketovalerate; Ethyl 4-oxovalerate; Levulinic acid, ethyl ester; Pentanoic acid, 4-oxo-, ethyl ester; Ethyl acetylpropanoate; FEMA No. 2442; DTXSID8047058; 7BU24CSS2G; NSC-24876; DTXCID6027058; RefChem:138978; 208-728-2; Ethyl levulate
| 分子量 | 144.17 |
|---|---|
| XLogP3 | 0.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 5 |
| 精确质量 | 144.078644241 |
| 单同位素质量 | 144.078644241 |
| 拓扑极性表面积 | 43.4 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
乙酰丙乙酸酯 的 CAS 号为 539-88-8，分子式 C7H12O3，分子量 144.08 g/mol。 UNII 7BU24CSS2G; ChEBI 169371; InChIKey GMEONFUTDYJSNV-UHFFFAOYSA-N. 沸点: 93.00 to 94.00 °C. @ 18.00 mm Hg; 沸点: 93-94 °C (18 mm Hg); 105 °C (24 mm Hg); 熔点: < 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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