Amyl octanoate (CAS 638-25-5) — formula C13H26O2, molecular weight 214.19 g/mol.
| CAS Number | 638-25-5 |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 g/mol |
| Melting Point | -34 - -35 °C |
| Boiling Point | 260 °C |
| LogP | 4.9 |
| 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 |
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.
Independent reference data for Amyl octanoate (CAS 638-25-5), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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