NATURAL ISOAMYL HEXANOATE (CAS 2198-61-0) — formula C11H22O2, molecular weight 186.29; category organic chemicals.
NATURAL ISOAMYL HEXANOATE (CAS 2198-61-0) is a chemical raw material in the organic chemicals category. Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms. Its molecular weight is about 186.29. Reported physicochemical data: boiling point around 225.00 to 226.00 °C. @ 760.00 mm Hg, LogP about 3.7. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 2198-61-0 |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.29 |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
| LogP | 3.7 |
| Applications | Fragrance Ingredients |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients.
NATURAL ISOAMYL HEXANOATE is a carbon-based organic compound with CAS registry number 2198-61-0 and molecular formula C11H22O2 (molecular weight 186.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2198-61-0
Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.
Also known as: NATURAL ISOAMYL HEXANOATE · 己酸异戊酯 · isoamyl caproate
Category: organic chemicals
The CAS registry number of NATURAL ISOAMYL HEXANOATE is 2198-61-0.
Molecular formula C11H22O2, molecular weight 186.29.
It is also registered under: NATURAL ISOAMYL HEXANOATE, 己酸异戊酯, isoamyl caproate.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for NATURAL ISOAMYL HEXANOATE (CAS 2198-61-0), compiled from public chemistry databases.
| CAS Registry Number | 2198-61-0 |
|---|---|
| PubChem CID | 16617 |
| Molecular formula | C11H22O2 |
| IUPAC name | 3-methylbutyl hexanoate |
| UNII (FDA) | 694171CHWH |
| FEMA number | 2075 |
| JECFA number | 46 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 225.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 222 °C |
| Density | 0.858 - 0.863 |
| Refractive Index | 1.418 - 1.422 |
Isopentyl hexanoate; ISOAMYL HEXANOATE; 2198-61-0; 3-Methylbutyl hexanoate; Isoamyl caproate; Hexanoic acid, 3-methylbutyl ester; Isopentyl caproate; Isopentyl-n-hexanoate; Hexanoic acid, isopentyl ester; Isopentyl alcohol, hexanoate; FEMA No. 2075; Isoamyl hexanoate (natural); 3-methylbutyl caproate; 694171CHWH; EINECS 218-600-8; BRN 1760611
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Anise, Fruit, Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (1632 / 1632) |
| GHS notification summary | 100% (1632 / 1632) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1632 of 1632) of all reports.
Reported as not meeting GHS hazard criteria by 1632 of 1632 companies. For more detailed information, please visit ECHA C&L website.
isoamyl caproate · CAS 2198-61-0 · C11H22O2. UNII 694171CHWH. Boiling Point: 225.00 to 226.00 °C. @ 760.00 mm Hg; Boiling Point: 222 °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: 己酸异戊酯