Amyl octanoate (CAS 638-25-5) — formula C13H26O2, molecular weight 214.19 g/mol.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanoic acid, pentyl ester: ACTIVE.
Amyl octanoate is a chemical compound with CAS registry number 638-25-5 and molecular formula C13H26O2 (molecular weight 214.19 g/mol).
CAS number: 638-25-5
Its molecular formula C13H26O2 comprises 13 C, 26 H, 2 O atoms.
Also known as: Amyl octanoate · amyl caprylate
The CAS registry number of Amyl octanoate is 638-25-5.
Molecular formula C13H26O2, molecular weight 214.19 g/mol.
It is also registered under: Amyl octanoate, amyl caprylate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Octanoic acid, pentyl ester: ACTIVE.
Public-database records for Amyl octanoate (CAS 638-25-5), reproduced here for independent cross-checking.
| 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.
| 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) |
| 沸点 | 260 °C |
|---|---|
| 熔点 | -34 - -35 °C |
| 密度 | 0.855-0.8562 |
| 折射率 | 1.425-1.429 |
| CAS Registry Number | 638-25-5 |
|---|---|
| PubChem CID | 61185 |
| 分子式 | C13H26O2 |
| 分子量 | 214.19 g/mol |
| IUPAC 名称 | pentyl octanoate |
| InChIKey | GJWGZSBNFSBUPX-UHFFFAOYSA-N |
| UNII（FDA） | 1KWP15429R |
| ChEBI 编号 | CHEBI:165637 |
| FEMA 编号 | 2079 |
| JECFA 编号 | 174 |
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
| 分子量 | 214.34 |
|---|---|
| XLogP3 | 4.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 11 |
| 精确质量 | 214.193280068 |
| 单同位素质量 | 214.193280068 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 15 |
| 形式电荷 | 0 |
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. 沸点: 260 °C; 熔点: -34 - -35 °C; 密度: 0.855-0.8562.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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