ACETOACETIC ACID ISOAMYL ESTER (CAS 2308-18-1) — formula C9H16O3, molecular weight 172.22; category organic chemicals.
| CAS Number | 2308-18-1 |
|---|---|
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.22 |
| Boiling Point | 89.00 to 91.00 °C. @ 6.00 mm Hg |
| LogP | 1.6 |
| Category | Organic Chemicals |
ACETOACETIC ACID ISOAMYL ESTER is a carbon-based organic compound with CAS registry number 2308-18-1 and molecular formula C9H16O3 (molecular weight 172.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2308-18-1
Its molecular formula C9H16O3 comprises 9 C, 16 H, 3 O atoms.
Also known as: ACETOACETIC ACID ISOAMYL ESTER · 乙酰乙酸异戊酯
Category: organic chemicals
The CAS registry number of ACETOACETIC ACID ISOAMYL ESTER is 2308-18-1.
Molecular formula C9H16O3, molecular weight 172.22.
It is also registered under: ACETOACETIC ACID ISOAMYL ESTER, 乙酰乙酸异戊酯.
Category: Organic Chemicals.
Independent reference data for ACETOACETIC ACID ISOAMYL ESTER (CAS 2308-18-1), compiled from public chemistry databases.
| CAS 号 | 2308-18-1 |
|---|---|
| PubChem CID | 61296 |
| 分子式 | C9H16O3 |
| IUPAC 名称 | 3-methylbutyl 3-oxobutanoate |
| UNII（FDA） | 4QVH533ZIY |
| FEMA 编号 | 3551 |
| JECFA 编号 | 598 |
| Molecular Weight | 172.22 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 172.109944368 |
| Monoisotopic Mass | 172.109944368 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 12 |
| Boiling Point | 89.00 to 91.00 °C. @ 6.00 mm Hg |
|---|---|
| Boiling Point | 222-224 °C |
| Density | 0.954 (10 °C) |
| Refractive Index | 1.426-1.433 |
Isoamyl acetoacetate; Acetoacetic acid isoamyl ester; 3-Methylbutyl 3-oxobutanoate; Isopentyl 3-oxobutanoate; Isopentyl acetoacetate; Isoamyl acetylacetate; Isoamyl beta-ketobutyrate; Butanoic acid, 3-oxo-, 3-methylbutyl ester; 3-Methylbutyl acetoacetate; Isopentyl beta-ketobutyrate; Acetoacetic acid, isopentyl ester; FEMA No. 3551; 3-Methylbutyl beta-ketobutyrate; UNII-4QVH533ZIY; 4QVH533ZIY; EINECS 218-991-5
| 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 |
|---|
| 已通报的危害声明 | H315 (100%), H319 (100%) |
|---|
乙酰乙酸异戊酯 · CAS 2308-18-1 · C9H16O3. UNII 4QVH533ZIY. Boiling Point: 89.00 to 91.00 °C. @ 6.00 mm Hg; Boiling Point: 222-224 °C; Density: 0.954 (10 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰乙酸异戊酯