顺-3-己烯基己酸酯合成，CAS 登记号 31501-11-8，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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; 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)-
CAS 31501-11-8; molecular formula C12H22O2; molecular weight 198.16 g/mol.
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.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
80.1% of GHS notifications report no hazard classification (173 of 216).
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.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.