Amyl hexanoate (CAS 540-07-8) — formula C11H22O2, molecular weight 186.16 g/mol.
| CAS Number | 540-07-8 |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16 g/mol |
| Melting Point | -47 °C |
| Boiling Point | 222-227 °C |
| LogP | 3.8 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Hexanoic 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: Hexanoic acid, pentyl ester: ACTIVE.
Amyl hexanoate is a chemical compound with CAS registry number 540-07-8 and molecular formula C11H22O2 (molecular weight 186.16 g/mol).
CAS number: 540-07-8
Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.
Also known as: Amyl hexanoate · amyl caproate
The CAS registry number of Amyl hexanoate is 540-07-8.
Molecular formula C11H22O2, molecular weight 186.16 g/mol.
It is also registered under: Amyl hexanoate, amyl caproate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Hexanoic acid, pentyl ester: ACTIVE.
Independent reference data for Amyl hexanoate (CAS 540-07-8), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Amyl hexanoate