Ethyl butyrylacetate (CAS 3249-68-1) — formula C8H14O3, molecular weight 158.19; category organic chemicals.
| CAS Number | 3249-68-1 |
|---|---|
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.19 |
| Boiling Point | 104.00 °C. @ 22.00 mm Hg |
| LogP | 1.1 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Ethyl butyrylacetate is a carbon-based organic compound with CAS registry number 3249-68-1 and molecular formula C8H14O3 (molecular weight 158.19), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3249-68-1
Its molecular formula C8H14O3 comprises 8 C, 14 H, 3 O atoms.
Also known as: Ethyl butyrylacetate · 丁酰乙酸乙酯
Category: organic chemicals
The CAS registry number of Ethyl butyrylacetate is 3249-68-1.
Molecular formula C8H14O3, molecular weight 158.19.
It is also registered under: Ethyl butyrylacetate, 丁酰乙酸乙酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Independent reference data for Ethyl butyrylacetate (CAS 3249-68-1), compiled from public chemistry databases.
| CAS Registry Number | 3249-68-1 |
|---|---|
| PubChem CID | 238498 |
| Molecular formula | C8H14O3 |
| IUPAC name | ethyl 3-oxohexanoate |
| UNII (FDA) | 8Q1AHG710E |
| FEMA number | 3683 |
| JECFA number | 602 |
| Molecular Weight | 158.19 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.094294304 |
| Monoisotopic Mass | 158.094294304 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 11 |
| Boiling Point | 104.00 °C. @ 22.00 mm Hg |
|---|---|
| Boiling Point | 90 °C (10 mm Hg); 104 °C (22 mm Hg) |
| Density | 0.983-1.000 (20 °C) |
| Refractive Index | 1.424-1.436 |
Ethyl 3-oxohexanoate; Ethyl butyrylacetate; 3249-68-1; Ethyl butyroacetate; Hexanoic acid, 3-oxo-, ethyl ester; Ethyl 3-Ketohexanoate; Ethyl beta-ketohexanoate; Ethyl alpha-butyrylacetate; 3-Oxohexanoic Acid Ethyl Ester; Ethyl .alpha.-butyrylacetate; FEMA No. 3683; EINECS 221-835-9; Butyrylacetic acid ethyl ester; 8Q1AHG710E; CHEBI:18119; AI3-23360
| Regulatory & Food Contact | 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 notification summary | 92.3% (96 / 104) |
| GHS notification summary | 92.3% (96 / 104) |
|---|
This chemical does not meet GHS hazard criteria for 92.3% (96 of 104) of all reports.
Reported as not meeting GHS hazard criteria by 96 of 104 companies (only 7.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Ethyl butyrylacetate · CAS 3249-68-1 · C8H14O3. UNII 8Q1AHG710E. Boiling Point: 104.00 °C. @ 22.00 mm Hg; Boiling Point: 90 °C (10 mm Hg); 104 °C (22 mm Hg); Density: 0.983-1.000 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁酰乙酸乙酯