3-甲基丁酸环己基酯（CAS 7774-44-9）：分子式 C11H20O2、分子量 184.27。
| CAS号 | 7774-44-9 |
|---|---|
| 分子式 | C11H20O2 |
| 分子量 | 184.27 |
| 沸点 | 223.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
3-甲基丁酸环己基酯 是一种化工化合物，登记 CAS 号为 7774-44-9，分子式 C11H20O2（分子量 184.27）。
登记 CAS 号：7774-44-9
其分子式 C11H20O2 由 11 个碳、20 个氢、2 个氧 组成。
别名/同义词：3-甲基丁酸环己基酯 · cyclohexyl isovalerate
3-甲基丁酸环己基酯 的 CAS 登记号为 7774-44-9。
分子式 C11H20O2，分子量 184.27。
别名/同义词：3-甲基丁酸环己基酯、cyclohexyl isovalerate。
3-甲基丁酸环己基酯（CAS 7774-44-9）的独立参考数据，整理自公开化学数据库。
| 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 |
| 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 |
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)
| 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 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: cyclohexyl isovalerate