3,5,5-trimethylcyclohexyl propionate (CAS 94021-79-1) — formula C12H22O2, molecular weight 198.30; category organic chemicals.
| CAS Number | 94021-79-1 |
|---|---|
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.30 |
| LogP | 3.7 |
| Category | Organic Chemicals |
3,5,5-trimethylcyclohexyl propionate is a carbon-based organic compound with CAS registry number 94021-79-1 and molecular formula C12H22O2 (molecular weight 198.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94021-79-1
Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.
Also known as: 3,5,5-trimethylcyclohexyl propionate · 丙酸3,5,5-三甲基环己酯
Category: organic chemicals
The CAS registry number of 3,5,5-trimethylcyclohexyl propionate is 94021-79-1.
Molecular formula C12H22O2, molecular weight 198.30.
It is also registered under: 3,5,5-trimethylcyclohexyl propionate, 丙酸3,5,5-三甲基环己酯.
Category: Organic Chemicals.
Independent reference data for 3,5,5-trimethylcyclohexyl propionate (CAS 94021-79-1), compiled from public chemistry databases.
| CAS 号 | 94021-79-1 |
|---|---|
| PubChem CID | 3023281 |
| 分子式 | C12H22O2 |
| IUPAC 名称 | (3,3,5-trimethylcyclohexyl) propanoate |
| UNII（FDA） | NS00064265 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
3,5,5-Trimethylcyclohexyl propionate; EINECS 301-470-2; 94021-79-1; 3,3,5-trimethylcyclohexyl propanoate; SCHEMBL272452; DTXSID20916679; YVDQNZNDUJCCJU-UHFFFAOYSA-N; NS00064265
丙酸3,5,5-三甲基环己酯 · CAS 94021-79-1 · C12H22O2. UNII NS00064265.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丙酸3,5,5-三甲基环己酯