FEMA 3517 (CAS 84642-60-4) — formula C12H22O2, molecular weight 198.30; category organic chemicals.
| CAS Number | 84642-60-4 |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30 |
| Boiling Point | 112-113 °C (8 mm Hg) |
| LogP | 3.9 |
| Category | Organic Chemicals |
FEMA 3517 is a carbon-based organic compound with CAS registry number 84642-60-4 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 84642-60-4
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: FEMA 3517 · 2(E)-辛烯丁酸酯
Category: organic chemicals
The CAS registry number of FEMA 3517 is 84642-60-4.
Molecular formula C12H22O2, molecular weight 198.30.
It is also registered under: FEMA 3517, 2(E)-辛烯丁酸酯.
Category: Organic Chemicals.
Independent reference data for FEMA 3517 (CAS 84642-60-4), compiled from public chemistry databases.
| CAS 号 | 84642-60-4 |
|---|---|
| PubChem CID | 5362591 |
| 分子式 | C12H22O2 |
| IUPAC 名称 | [(E)-oct-2-enyl] butanoate |
| UNII（FDA） | KQY9P705GY |
| FEMA 编号 | 3517 |
| JECFA 编号 | 1368 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 112-113 °C (8 mm Hg) |
|---|---|
| Density | 0.890-0.896 |
| Refractive Index | 1.433-1.439 |
(E)-Oct-2-enyl butyrate; 84642-60-4; FEMA No. 3517; trans-2-Octen-1-yl butanoate; 2-Octen-1-yl butyrate, (2E)-; KQY9P705GY; 2-Octenyl butanoate, (E)-; Butanoic acid, 2-octenyl ester, (E)-; 2-Octen-1-yl butyrate, trans-; EINECS 283-437-1; (E)-2-octen-1-yl butyrate; Butanoic acid, (2E)-2-octenyl ester; DTXSID901020149; 2-OCTEN-1-YL BUTYRATE, (E)-; TRANS-2-OCTEN-1-YL BUTANOATE [FHFI]; BUTANOIC ACID, (2E)-2-OCTEN-1-YL ESTER
| 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 | 100% (89 / 89) |
| GHS 通报统计 | 100% (89 / 89) |
|---|
2(E)-辛烯丁酸酯 · CAS 84642-60-4 · C12H22O2. UNII KQY9P705GY. Boiling Point: 112-113 °C (8 mm Hg); Density: 0.890-0.896; Refractive Index: 1.433-1.439.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2(E)-辛烯丁酸酯