辛酸正戊酯（CAS 638-25-5）：分子式 C13H26O2、分子量 214.34。
| CAS号 | 638-25-5 |
|---|---|
| 分子式 | C13H26O2 |
| 分子量 | 214.34 |
| 熔点 | -34 - -35 °C |
| 沸点 | 260 °C |
| LogP | 4.9 |
| 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、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: Octanoic acid、pentyl ester: ACTIVE。
辛酸正戊酯 是一种化工化合物，登记 CAS 号为 638-25-5，分子式 C13H26O2（分子量 214.34）。
登记 CAS 号：638-25-5
其分子式 C13H26O2 由 13 个碳、26 个氢、2 个氧 组成。
别名/同义词：辛酸正戊酯 · amyl caprylate · Amyl octanoate
辛酸正戊酯 的 CAS 登记号为 638-25-5。
分子式 C13H26O2，分子量 214.34。
别名/同义词：辛酸正戊酯、amyl caprylate、Amyl 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、pentyl ester: ACTIVE。
辛酸正戊酯（CAS 638-25-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 638-25-5 |
|---|---|
| PubChem CID | 61185 |
| Molecular formula | C13H26O2 |
| Molecular weight | 214.19 g/mol |
| IUPAC name | pentyl octanoate |
| InChIKey | GJWGZSBNFSBUPX-UHFFFAOYSA-N |
| UNII (FDA) | 1KWP15429R |
| ChEBI ID | CHEBI:165637 |
| FEMA number | 2079 |
| JECFA number | 174 |
| Molecular Weight | 214.34 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 11 |
| Exact Mass | 214.193280068 |
| Monoisotopic Mass | 214.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 260 °C |
|---|---|
| Melting Point | -34 - -35 °C |
| Density | 0.855-0.8562 |
| Refractive Index | 1.425-1.429 |
Pentyl octanoate; Amyl octanoate; 638-25-5; Amyl caprylate; OCTANOIC ACID, PENTYL ESTER; Amyl octoate; Amyl octylate; Pentyl octylate; N-Amyl octanoate; n-Caprylic acid n-amyl ester; N-Amyl n-octanoate; FEMA No. 2079; FEMA 2079; 1KWP15429R; EINECS 211-328-0; NSC 23940
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (140 / 140) |
| GHS notification summary | 100% (140 / 140) |
|---|
This chemical does not meet GHS hazard criteria for 100% (140 of 140) of all reports.
Reported as not meeting GHS hazard criteria by 140 of 140 companies. For more detailed information, please visit ECHA C&L website.
Amyl octanoate is identified by CAS 638-25-5, molecular formula C13H26O2 and molecular weight 214.19 g/mol. UNII 1KWP15429R; ChEBI 165637; InChIKey GJWGZSBNFSBUPX-UHFFFAOYSA-N. Boiling Point: 260 °C; Melting Point: -34 - -35 °C; Density: 0.855-0.8562.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: amyl caprylate