isobutyl 3,5,5-trimethylhexanoate (CAS 71436-96-9) — formula C13H26O2, molecular weight 214.34; category organic chemicals.
| CAS Number | 71436-96-9 |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.34 |
| LogP | 4.4 |
| Category | Organic Chemicals |
isobutyl 3,5,5-trimethylhexanoate is a carbon-based organic compound with CAS registry number 71436-96-9 and molecular formula C13H26O2 (molecular weight 214.34), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 71436-96-9
Its molecular formula C13H26O2 comprises 13 C, 26 H, 2 O atoms.
Also known as: isobutyl 3,5,5-trimethylhexanoate · 3,5,5-三甲基己酸异丁酯
Category: organic chemicals
The CAS registry number of isobutyl 3,5,5-trimethylhexanoate is 71436-96-9.
Molecular formula C13H26O2, molecular weight 214.34.
It is also registered under: isobutyl 3,5,5-trimethylhexanoate, 3,5,5-三甲基己酸异丁酯.
Category: Organic Chemicals.
Independent reference data for isobutyl 3,5,5-trimethylhexanoate (CAS 71436-96-9), compiled from public chemistry databases.
| CAS 号 | 71436-96-9 |
|---|---|
| PubChem CID | 3018136 |
| 分子式 | C13H26O2 |
| IUPAC 名称 | 2-methylpropyl 3,5,5-trimethylhexanoate |
| UNII（FDA） | NS00062274 |
| Molecular Weight | 214.34 |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 214.193280068 |
| Monoisotopic Mass | 214.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
Isobutyl 3,5,5-trimethylhexanoate; 71436-96-9; EINECS 275-455-3; 2-methylpropyl 3,5,5-trimethylhexanoate; DTXSID30991831; NS00062274; Hexanoic acid, 3,5,5-trimethyl-, isobutyl ester
3,5,5-三甲基己酸异丁酯 · CAS 71436-96-9 · C13H26O2. UNII NS00062274.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,5,5-三甲基己酸异丁酯