Amyl hexanoate（CAS 540-07-8）：分子式 C11H22O2、分子量 186.16 g/mol。
| CAS号 | 540-07-8 |
|---|---|
| 分子式 | C11H22O2 |
| 分子量 | 186.16 g/mol |
| 熔点 | -47 °C |
| 沸点 | 222-227 °C |
| LogP | 3.8 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Hexanoic acid、pentyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Hexanoic acid、pentyl ester: ACTIVE。
Amyl hexanoate 是一种化工化合物，登记 CAS 号为 540-07-8，分子式 C11H22O2（分子量 186.16 g/mol）。
登记 CAS 号：540-07-8
其分子式 C11H22O2 由 11 个碳、22 个氢、2 个氧 组成。
别名/同义词：Amyl hexanoate · amyl caproate
Amyl hexanoate 的 CAS 登记号为 540-07-8。
分子式 C11H22O2，分子量 186.16 g/mol。
别名/同义词：Amyl hexanoate、amyl caproate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Hexanoic acid、pentyl ester: ACTIVE。
Amyl hexanoate（CAS 540-07-8）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 540-07-8 |
|---|---|
| PubChem CID | 10886 |
| Molecular formula | C11H22O2 |
| Molecular weight | 186.16 g/mol |
| IUPAC name | pentyl hexanoate |
| InChIKey | WRFZKAGPPQGDDQ-UHFFFAOYSA-N |
| UNII (FDA) | 5M61M1AL1H |
| ChEBI ID | CHEBI:179383 |
| FEMA number | 2074 |
| JECFA number | 163 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 222-227 °C |
|---|---|
| Melting Point | -47 °C |
| Density | 0.858-0.863 |
| Refractive Index | 1.418-1.422 |
PENTYL HEXANOATE; Amyl hexanoate; 540-07-8; n-Amyl caproate; Amyl capronate; Hexanoic acid, pentyl ester; FEMA No. 2074; DTXSID0047581; NSC-46119; 5M61M1AL1H; DTXCID8027581; RefChem:171517; 208-732-4; Amyl caproate; Pentyl caproate; Amyl hexoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Fresh, Rose No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1470) |
| GHS notification summary | 0.1% (1 / 1470) |
|---|---|
| Reported hazard statements | H315, H319 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1470) of reports.
H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation]
Amyl hexanoate is identified by CAS 540-07-8, molecular formula C11H22O2 and molecular weight 186.16 g/mol. UNII 5M61M1AL1H; ChEBI 179383; InChIKey WRFZKAGPPQGDDQ-UHFFFAOYSA-N. Boiling Point: 222-227 °C; Melting Point: -47 °C; Density: 0.858-0.863.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Amyl hexanoate