3-甲基丁酸环己基酯，CAS 登记号 7774-44-9，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，下游主要用于食用香精；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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本页已列出 3-甲基丁酸环己基酯 的 CAS 号：7774-44-9，可与随货 COA 核对。
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cyclohexyl isovalerate is identified by CAS 7774-44-9, molecular formula C11H20O2 and molecular weight 184.15 g/mol. UNII 6SQ3O6ST39; ChEBI 171833; InChIKey SQPOKBBCNZIWFI-UHFFFAOYSA-N. Boiling Point: 223.00 °C. @ 760.00 mm Hg; Boiling Point: 58-62 °C; Density: 0.945-0.952.
| CAS Registry Number | 7774-44-9 |
|---|---|
| PubChem CID | 287439 |
| Molecular formula | C11H20O2 |
| Molecular weight | 184.15 g/mol |
| IUPAC name | cyclohexyl 3-methylbutanoate |
| InChIKey | SQPOKBBCNZIWFI-UHFFFAOYSA-N |
| UNII (FDA) | 6SQ3O6ST39 |
| ChEBI ID | CHEBI:171833 |
| FEMA number | 2355 |
| JECFA number | 1096 |
| Molecular Weight | 184.27 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 184.146329876 |
| Monoisotopic Mass | 184.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Boiling Point | 223.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 58-62 °C |
| Density | 0.945-0.952 |
| Refractive Index | 1.439-1.445 |
| Regulatory & Food Contact | 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 |
|---|---|
| GHS notification summary | 6.5% (89 / 1375) |
| GHS notification summary | 6.5% (89 / 1375) |
|---|---|
| Reported hazard statements | H226 (93.5%) |
This chemical does not meet GHS hazard criteria for 6.5% (89 of 1375) of reports.
H226 (93.5%): Flammable liquid and vapor [Warning Flammable liquids]
Cyclohexyl isovalerate; Cyclohexyl 3-methylbutanoate; Isovaleric acid cyclohexyl ester; Isovaleric acid, cyclohexyl ester; Butanoic acid, 3-methyl-, cyclohexyl ester; FEMA No. 2355; UNII-6SQ3O6ST39; 6SQ3O6ST39; Cyclohexyl iso-valerate; EINECS 231-874-3; NSC 147480; NSC-147480; AI3-38989; DTXSID1064796; CYCLOHEXYL ISOVALERATE [FHFI]; Isovaleric acid, cyclohexyl ester (8CI)
CAS 7774-44-9; molecular formula C11H20O2; molecular weight 184.15 g/mol.
Cyclohexyl isovalerate, Cyclohexyl 3-methylbutanoate, Isovaleric acid cyclohexyl ester, Isovaleric acid, cyclohexyl ester, Butanoic acid, 3-methyl-, cyclohexyl ester, FEMA No. 2355.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
6.5% of GHS notifications report no hazard classification (89 of 1375).
Boiling Point: 223.00 °C. @ 760.00 mm Hg; Boiling Point: 58-62 °C; Density: 0.945-0.952; Refractive Index: 1.439-1.445.
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.