庚酸异丁酯，CAS 登记号 7779-80-8，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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isobutyl heptanoate · CAS 7779-80-8 · C11H22O2. UNII LJS6KH0B8M. Boiling Point: 95.00 to 97.00 °C. @ 12.00 mm Hg; Boiling Point: 209 °C; Density: 0.8593 (20 °C).
| CAS Registry Number | 7779-80-8 |
|---|---|
| PubChem CID | 24516 |
| Molecular formula | C11H22O2 |
| IUPAC name | 2-methylpropyl heptanoate |
| UNII (FDA) | LJS6KH0B8M |
| FEMA number | 2200 |
| JECFA number | 172 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.9 |
| 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 | 95.00 to 97.00 °C. @ 12.00 mm Hg |
|---|---|
| Boiling Point | 209 °C |
| Density | 0.8593 (20 °C) |
| Refractive Index | 1.420-1.425 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
Isobutyl heptanoate; 7779-80-8; 2-Methylpropyl heptanoate; Heptanoic acid, 2-methylpropyl ester; Isobutyl heptylate; Isobutyl heptoate; HEPTANOIC ACID, ISOBUTYL ESTER; 2-Methyl-1-propyl heptanoate; FEMA No. 2200; LJS6KH0B8M; EINECS 231-940-1; BRN 1760201; AI3-33578; DTXSID8064806; ISOBUTYL HEPTANOATE [FHFI]; 1-02-00-00145 (Beilstein Handbook Reference)
CAS 7779-80-8; molecular formula C11H22O2; molecular weight — g/mol.
Isobutyl heptanoate, 7779-80-8, 2-Methylpropyl heptanoate, Heptanoic acid, 2-methylpropyl ester, Isobutyl heptylate, Isobutyl heptoate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Boiling Point: 95.00 to 97.00 °C. @ 12.00 mm Hg; Boiling Point: 209 °C; Density: 0.8593 (20 °C); Refractive Index: 1.420-1.425.
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.