Ethyl levulinate (CAS 539-88-8) — formula C7H12O3, molecular weight 144.17; category organic chemicals.
| CAS Number | 539-88-8 |
|---|---|
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.17 |
| Melting Point | < 25 °C |
| Boiling Point | 93.00 to 94.00 °C. @ 18.00 mm Hg |
| LogP | 0.1 |
| 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 |
| Category | Organic Chemicals |
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 levulinate is a carbon-based organic compound with CAS registry number 539-88-8 and molecular formula C7H12O3 (molecular weight 144.17), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 539-88-8
Its molecular formula C7H12O3 comprises 7 C, 12 H, 3 O atoms.
Also known as: Ethyl levulinate · 乙酰丙乙酸酯 · Ethyl acetylpropanoate
Category: organic chemicals
The CAS registry number of Ethyl levulinate is 539-88-8.
Molecular formula C7H12O3, molecular weight 144.17.
It is also registered under: Ethyl levulinate, 乙酰丙乙酸酯, Ethyl acetylpropanoate.
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.
Category: Organic Chemicals.
Independent reference data for Ethyl levulinate (CAS 539-88-8), compiled from public chemistry databases.
| 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 |
| Molecular Weight | 144.17 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.078644241 |
| Monoisotopic Mass | 144.078644241 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 10 |
| Boiling Point | 93.00 to 94.00 °C. @ 18.00 mm Hg |
|---|---|
| Boiling Point | 93-94 °C (18 mm Hg); 105 °C (24 mm Hg) |
| Melting Point | < 25 °C |
| Density | 1.009-1.014 |
| Refractive Index | 1.420-1.425 |
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
| 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) |
| GHS 通报统计 | 90% (1583 / 1758) |
|---|
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. Boiling Point: 93.00 to 94.00 °C. @ 18.00 mm Hg; Boiling Point: 93-94 °C (18 mm Hg); 105 °C (24 mm Hg); Melting Point: < 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰丙酸乙酯