己酸己烯酯（CAS 31501-11-8）：分子式 C12H22O2、分子量 198.30。
| CAS号 | 31501-11-8 |
|---|---|
| 分子式 | C12H22O2 |
| 分子量 | 198.30 |
| 沸点 | 115.00 °C. @ 15.00 mm Hg |
| LogP | 3.8 |
己酸己烯酯 是一种化工化合物，登记 CAS 号为 31501-11-8，分子式 C12H22O2（分子量 198.30）。
登记 CAS 号：31501-11-8
其分子式 C12H22O2 由 12 个碳、22 个氢、2 个氧 组成。
别名/同义词：己酸己烯酯 · Caproicacidhexneylester
己酸己烯酯 的 CAS 登记号为 31501-11-8。
分子式 C12H22O2，分子量 198.30。
别名/同义词：己酸己烯酯。
己酸己烯酯（CAS 31501-11-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 31501-11-8 |
|---|---|
| PubChem CID | 5352543 |
| Molecular formula | C12H22O2 |
| Molecular weight | 198.16 g/mol |
| IUPAC name | [(Z)-hex-3-enyl] hexanoate |
| InChIKey | RGACQXBDYBCJCY-ALCCZGGFSA-N |
| UNII (FDA) | UYX8RFU917 |
| ChEBI ID | CHEBI:171813 |
| FEMA number | 3403 |
| JECFA number | 165 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 3.8 |
| 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 | 115.00 °C. @ 15.00 mm Hg |
|---|---|
| Boiling Point | 122 °C (12 mmHg) |
| Density | 0.870-0.890 |
| Refractive Index | 1.420-1.440 |
cis-3-Hexenyl hexanoate; 31501-11-8; (Z)-3-hexenyl hexanoate; cis-3-Hexenyl caproate; cis-3-Hexenyl hexoate; (3Z)-Hex-3-en-1-yl hexanoate; (Z)-Hex-3-enyl hexanoate; Hexanoic acid, (3Z)-3-hexenyl ester; 3-Hexenyl hexanoate, cis-; Hexanoic acid, 3-hexenyl ester, (Z)-; 3-Hexenyl hexanoate, (Z)-; cis-Hexanoic acid, 3-hexenyl ester; FEMA No. 3403; cis-3-Hexenyl caproate (hexanoate); Hexanoic acid, (3Z)-3-hexen-1-yl ester; 3-Hexenyl hexanoate, (3Z)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Prune No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 80.1% (173 / 216) |
| GHS notification summary | 80.1% (173 / 216) |
|---|---|
| Reported hazard statements | H315 (19.4%), H319 (19.4%), H335 (19.4%) |
This chemical does not meet GHS hazard criteria for 80.1% (173 of 216) of all reports.
H315 (19.4%): Causes skin irritation [Warning Skin corrosion/irritation]
cis-3-Hexenyl hexanoate (Leaf hexanoate) is identified by CAS 31501-11-8, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII UYX8RFU917; ChEBI 171813; InChIKey RGACQXBDYBCJCY-ALCCZGGFSA-N. Boiling Point: 115.00 °C. @ 15.00 mm Hg; Boiling Point: 122 °C (12 mmHg); Density: 0.870-0.890.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Caproicacidhexneylester