辛酸己酯（CAS 1117-55-1）：分子式 C14H28O2、分子量 228.37。
| CAS号 | 1117-55-1 |
|---|---|
| 分子式 | C14H28O2 |
| 分子量 | 228.37 |
| 熔点 | -31 °C |
| 沸点 | 277 °C |
| LogP | 5.3 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Octanoic acid、hexyl 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: Octanoic acid、hexyl ester: ACTIVE。
辛酸己酯 是一种化工化合物，登记 CAS 号为 1117-55-1，分子式 C14H28O2（分子量 228.37）。
登记 CAS 号：1117-55-1
其分子式 C14H28O2 由 14 个碳、28 个氢、2 个氧 组成。
别名/同义词：辛酸己酯 · HEXYL OCTANOATE
辛酸己酯 的 CAS 登记号为 1117-55-1。
分子式 C14H28O2，分子量 228.37。
别名/同义词：辛酸己酯、HEXYL OCTANOATE。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Octanoic acid、hexyl ester: ACTIVE。
辛酸己酯（CAS 1117-55-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 1117-55-1 |
|---|---|
| PubChem CID | 14228 |
| Molecular formula | C14H28O2 |
| Molecular weight | 228.21 g/mol |
| IUPAC name | hexyl octanoate |
| InChIKey | PBGWNXWNCSSXCO-UHFFFAOYSA-N |
| UNII (FDA) | GU3S7YK802 |
| ChEBI ID | CHEBI:87490 |
| FEMA number | 2575 |
| JECFA number | 175 |
| Molecular Weight | 228.37 |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 228.208930132 |
| Monoisotopic Mass | 228.208930132 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 277 °C |
|---|---|
| Melting Point | -31 °C |
| Density | 0.857-0.864(d20/4) |
| Refractive Index | 1.428-1.433 |
Hexyl octanoate; Hexyl caprylate; n-Hexyl caprylate; OCTANOIC ACID, HEXYL ESTER; Hexyl octylate; FEMA No. 2575; Hexyl octanoate (natural); DTXSID8047636; FEMA 2575; Caproyl caprylate; EINECS 214-247-9; UNII-GU3S7YK802; BRN 1769635; GU3S7YK802; AI3-33727; N-HEXYL-N-OCTANOATE
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green, Herb, Oil No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (283 / 283) |
| GHS notification summary | 100% (283 / 283) |
|---|
This chemical does not meet GHS hazard criteria for 100% (283 of 283) of all reports.
Reported as not meeting GHS hazard criteria by 283 of 283 companies. For more detailed information, please visit ECHA C&L website.
HEXYL OCTANOATE is identified by CAS 1117-55-1, molecular formula C14H28O2 and molecular weight 228.21 g/mol. UNII GU3S7YK802; ChEBI 87490; InChIKey PBGWNXWNCSSXCO-UHFFFAOYSA-N. Boiling Point: 277 °C; Melting Point: -31 °C; Density: 0.857-0.864(d20/4).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: HEXYL OCTANOATE