isoamyl caproate (CAS 2198-61-0) — formula C11H22O2, molecular weight 186.29; category organic chemicals.
Documented applications: Fragrance Ingredients.
isoamyl caproate 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: isoamyl caproate · NATURAL ISOAMYL HEXANOATE
Category: organic chemicals
The CAS registry number of isoamyl caproate is 2198-61-0.
Molecular formula C11H22O2, molecular weight 186.29.
It is also registered under: isoamyl caproate, NATURAL ISOAMYL HEXANOATE.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Public-database records for isoamyl caproate (CAS 2198-61-0), reproduced here for independent cross-checking.
| 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.
| 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) |
| 沸点 | 225.00 to 226.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 222 °C |
| 密度 | 0.858 - 0.863 |
| 折射率 | 1.418 - 1.422 |
| CAS Registry Number | 2198-61-0 |
|---|---|
| PubChem CID | 16617 |
| 分子式 | C11H22O2 |
| IUPAC 名称 | 3-methylbutyl hexanoate |
| UNII（FDA） | 694171CHWH |
| FEMA 编号 | 2075 |
| JECFA 编号 | 46 |
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
| 分子量 | 186.29 |
|---|---|
| XLogP3 | 3.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 8 |
| 精确质量 | 186.161979940 |
| 单同位素质量 | 186.161979940 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
isoamyl caproate · CAS 2198-61-0 · C11H22O2. UNII 694171CHWH. 沸点: 225.00 to 226.00 °C. @ 760.00 mm Hg; 沸点: 222 °C; 密度: 0.858 - 0.863.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.