己酸异戊酯，CAS 登记号 2198-61-0，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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isoamyl caproate · CAS 2198-61-0 · C11H22O2. UNII 694171CHWH. Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 222 °C; Density: 0.858 - 0.863.
| CAS Registry Number | 2198-61-0 |
|---|---|
| PubChem CID | 16617 |
| Molecular formula | C11H22O2 |
| IUPAC name | 3-methylbutyl hexanoate |
| UNII (FDA) | 694171CHWH |
| FEMA number | 2075 |
| JECFA number | 46 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 222 °C |
| Density | 0.858 - 0.863 |
| Refractive Index | 1.418 - 1.422 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Anise, Fruit, Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (1632 / 1632) |
| GHS notification summary | 100% (1632 / 1632) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1632 of 1632) of all reports.
Reported as not meeting GHS hazard criteria by 1632 of 1632 companies. For more detailed information, please visit ECHA C&L website.
Isopentyl hexanoate; ISOAMYL HEXANOATE; 2198-61-0; 3-Methylbutyl hexanoate; Isoamyl caproate; Hexanoic acid, 3-methylbutyl ester; Isopentyl caproate; Isopentyl-n-hexanoate; Hexanoic acid, isopentyl ester; Isopentyl alcohol, hexanoate; FEMA No. 2075; Isoamyl hexanoate (natural); 3-methylbutyl caproate; 694171CHWH; EINECS 218-600-8; BRN 1760611
CAS 2198-61-0; molecular formula C11H22O2; molecular weight — g/mol.
Isopentyl hexanoate, ISOAMYL HEXANOATE, 2198-61-0, 3-Methylbutyl hexanoate, Isoamyl caproate, Hexanoic acid, 3-methylbutyl ester.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
100% of GHS notifications report no hazard classification (1632 of 1632).
Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 222 °C; Density: 0.858 - 0.863; Refractive Index: 1.418 - 1.422.
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.