methyl 3-(acetoxy)octanoate (CAS 35234-21-0) — formula C11H20O4, molecular weight 216.27; category organic chemicals.
| CAS Number | 35234-21-0 |
|---|---|
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.27 |
| Boiling Point | 217-219 °C |
| LogP | 2.3 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
methyl 3-(acetoxy)octanoate is a carbon-based organic compound with CAS registry number 35234-21-0 and molecular formula C11H20O4 (molecular weight 216.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 35234-21-0
Its molecular formula C11H20O4 comprises 11 C, 20 H, 4 O atoms.
Also known as: methyl 3-(acetoxy)octanoate · 3-(乙酰氧基)辛酸甲酯
Category: organic chemicals
The CAS registry number of methyl 3-(acetoxy)octanoate is 35234-21-0.
Molecular formula C11H20O4, molecular weight 216.27.
It is also registered under: methyl 3-(acetoxy)octanoate, 3-(乙酰氧基)辛酸甲酯.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Category: Organic Chemicals.
Independent reference data for methyl 3-(acetoxy)octanoate (CAS 35234-21-0), compiled from public chemistry databases.
| CAS 号 | 35234-21-0 |
|---|---|
| PubChem CID | 529300 |
| 分子式 | C11H20O4 |
| IUPAC 名称 | methyl 3-acetyloxyoctanoate |
| UNII（FDA） | 16KH805BNJ |
| FEMA 编号 | 4454 |
| JECFA 编号 | 1956 |
| Molecular Weight | 216.27 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 216.13615911 |
| Monoisotopic Mass | 216.13615911 |
| Topological Polar Surface Area | 52.6 |
| Heavy Atom Count | 15 |
| Boiling Point | 217-219 °C |
|---|---|
| Density | 0.934-0.994 |
| Refractive Index | 1.413-1.433 |
methyl 3-acetoxyoctanoate; 35234-21-0; Methyl 3-(acetoxy)octanoate; 16KH805BNJ; EINECS 252-452-5; METHYL 3-(ACETYLOXY)OCTANOATE; FEMA NO. 4454; DTXSID80865755; Octanoic acid, 3-(acetyloxy)-, methyl ester; RefChem:815090; DTXCID00814124; (+-)-METHYL 3-ACETOXYOCTANOATE; METHYL 3-ACETOXYOCTANOATE, (+-)-; 252-452-5; methyl 3-acetyloxyoctanoate; UNII-16KH805BNJ
| 法规与食品接触 | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 960-JECFA 73/71 |
|---|
3-(乙酰氧基)辛酸甲酯 · CAS 35234-21-0 · C11H20O4. UNII 16KH805BNJ. Boiling Point: 217-219 °C; Density: 0.934-0.994; Refractive Index: 1.413-1.433.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-(乙酰氧基)辛酸甲酯