Heptafluoroorthobutyric acid cyclic ester with 2-ethyl-2-(hydroxymethy l)-1,3-propanediol (1:1) (CAS 31185-68-9) — formula C10H11F7O3, molecular weight 312.18; category organic chemicals.
| CAS Number | 31185-68-9 |
|---|---|
| Molecular Formula | C10H11F7O3 |
| Molecular Weight | 312.18 |
| LogP | 2.9 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
Heptafluoroorthobutyric acid cyclic ester with 2-ethyl-2-(hydroxymethy l)-1,3-propanediol (1:1) is a carbon-based organic compound with CAS registry number 31185-68-9 and molecular formula C10H11F7O3 (molecular weight 312.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31185-68-9
Its molecular formula C10H11F7O3 comprises 10 C, 11 H, 7 F, 3 O atoms.
Also known as: Heptafluoroorthobutyric acid cyclic ester with 2-ethyl-2-(hydroxymethy l)-1,3-propanediol (1:1) · 七氟原丁酸与2-乙基-2-(羟甲基)-1,3-丙二醇的环酯(1:1)
Category: organic chemicals
The CAS registry number of Heptafluoroorthobutyric acid cyclic ester with 2-ethyl-2-(hydroxymethy l)-1,3-propanediol (1:1) is 31185-68-9.
Molecular formula C10H11F7O3, molecular weight 312.18.
It is also registered under: Heptafluoroorthobutyric acid cyclic ester with 2-ethyl-2-(hydroxymethy l)-1,3-propanediol (1:1), 七氟原丁酸与2-乙基-2-(羟甲基)-1,3-丙二醇的环酯(1:1).
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category.
Category: Organic Chemicals.
Independent reference data for Heptafluoroorthobutyric acid cyclic ester with 2-ethyl-2-(hydroxymethy l)-1,3-propanediol (1:1) (CAS 31185-68-9), compiled from public chemistry databases.
| CAS 号 | 31185-68-9 |
|---|---|
| PubChem CID | 207936 |
| 分子式 | C10H11F7O3 |
| IUPAC 名称 | 4-ethyl-1-(1,1,2,2,3,3,3-heptafluoropropyl)-2,6,7-trioxabicyclo[2.2.2]octane |
| UNII（FDA） | NS00110521 |
| Molecular Weight | 312.18 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.05964134 |
| Monoisotopic Mass | 312.05964134 |
| Topological Polar Surface Area | 27.7 |
| Heavy Atom Count | 20 |
31185-68-9； BRN 1383586；原丁酸七氟环酯与2-乙基-2-(羟甲基)-1,3-丙二醇(1:1)； DTXSID50185114； 5-19-09-00139（贝尔斯坦手册参考）；七氟原丁酸与2-乙基-2-(羟甲基)-1,3-丙二醇的环酯(1:1)；参考化学：367035； DTXCID60107605； 4-乙基-1-(七氟丙基)-2,6,7-三氧杂二环[2.2.2]辛烷； NS00110521
七氟原丁酸与2-乙基-2-(羟甲基)-1,3-丙二醇的环酯(1:1) · CAS 31185-68-9 · C10H11F7O3. UNII NS00110521.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.