N-CAPRYLIC ACID ISOPROPYL ESTER (CAS 5458-59-3) — formula C11H22O2, molecular weight 186.29; category organic chemicals.
| CAS Number | 5458-59-3 |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.29 |
| LogP | 3.9 |
| Category | Organic Chemicals |
N-CAPRYLIC ACID ISOPROPYL ESTER is a carbon-based organic compound with CAS registry number 5458-59-3 and molecular formula C11H22O2 (molecular weight 186.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5458-59-3
Its molecular formula C11H22O2 comprises 11 C, 22 H, 2 O atoms.
Also known as: N-CAPRYLIC ACID ISOPROPYL ESTER · 辛酸异丙酯
Category: organic chemicals
The CAS registry number of N-CAPRYLIC ACID ISOPROPYL ESTER is 5458-59-3.
Molecular formula C11H22O2, molecular weight 186.29.
It is also registered under: N-CAPRYLIC ACID ISOPROPYL ESTER, 辛酸异丙酯.
Category: Organic Chemicals.
Independent reference data for N-CAPRYLIC ACID ISOPROPYL ESTER (CAS 5458-59-3), compiled from public chemistry databases.
| CAS 号 | 5458-59-3 |
|---|---|
| PubChem CID | 21606 |
| 分子式 | C11H22O2 |
| IUPAC 名称 | propan-2-yl octanoate |
| UNII（FDA） | GHK5I7U9ZD |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.9 |
| 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 |
5458-59-3; ISOPROPYL OCTANOATE; isopropyl caprylate; Octanoic acid, 1-methylethyl ester; GHK5I7U9ZD; EINECS 226-721-2; Octanoic acid, isopropyl ester; NSC-23737; WE(/2:0(1Me)/8:0); AI3-30981; DTXSID30203007; NSC 23737; RefChem:792160; DTXCID90125498; 226-721-2; Isopropyl n-Octanoate
| 法规与食品接触 | EU Flavoring substances Flavoring Agents |
|---|
辛酸异丙酯 · CAS 5458-59-3 · C11H22O2. UNII GHK5I7U9ZD.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辛酸异丙酯