(E)-2-hexenyl octanoate (CAS 85554-72-9) — formula C14H26O2, molecular weight 226.35; category organic chemicals.
| CAS Number | 85554-72-9 |
|---|---|
| Molecular Formula | C14H26O2 |
| Molecular Weight | 226.35 |
| Boiling Point | 308-309 °C |
| LogP | 5 |
| Category | Organic Chemicals |
(E)-2-hexenyl octanoate is a carbon-based organic compound with CAS registry number 85554-72-9 and molecular formula C14H26O2 (molecular weight 226.35), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85554-72-9
Its molecular formula C14H26O2 comprises 14 C, 26 H, 2 O atoms.
Also known as: (E)-2-hexenyl octanoate · 辛酸反-2-己烯酯
Category: organic chemicals
The CAS registry number of (E)-2-hexenyl octanoate is 85554-72-9.
Molecular formula C14H26O2, molecular weight 226.35.
It is also registered under: (E)-2-hexenyl octanoate, 辛酸反-2-己烯酯.
Category: Organic Chemicals.
Independent reference data for (E)-2-hexenyl octanoate (CAS 85554-72-9), compiled from public chemistry databases.
| CAS 号 | 85554-72-9 |
|---|---|
| PubChem CID | 5365136 |
| 分子式 | C14H26O2 |
| IUPAC 名称 | [(E)-hex-2-enyl] octanoate |
| UNII（FDA） | Q58DSI91MM |
| FEMA 编号 | 4135 |
| JECFA 编号 | 1796 |
| Molecular Weight | 226.35 |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 226.193280068 |
| Monoisotopic Mass | 226.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 308-309 °C |
|---|---|
| Density | 0.881-0.887 |
| Refractive Index | 1.448-1.453 |
(E)-2-Hexenyl octanoate; 85554-72-9; 2-Hexenyl octanoate; 2-Hexenyl octanoate, (E)-; Octanoic acid, 2-hexenyl ester, (E)-; Q58DSI91MM; (2E)-HEX-2-EN-1-YL OCTANOATE; EINECS 287-605-5; FEMA NO. 4135; DTXSID30912349; 2-HEXENYL OCTANOATE [FHFI]; 2-HEXENYL OCTANOATE, TRANS-; RefChem:472900; DTXCID00910690; WE 6:1(2E)/8:0; WE(6:1(2E)/8:0)
| 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 |
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辛酸反-2-己烯酯 · CAS 85554-72-9 · C14H26O2. UNII Q58DSI91MM. Boiling Point: 308-309 °C; Density: 0.881-0.887; Refractive Index: 1.448-1.453.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辛酸反-2-己烯酯