2,2,3,3,4,4,5,5-Octafluoropentanoic acid octyl ester (CAS 72828-80-9) — formula C13H18F8O2, molecular weight 358.27; category organic chemicals.
| CAS Number | 72828-80-9 |
|---|---|
| Molecular Formula | C13H18F8O2 |
| Molecular Weight | 358.27 |
| LogP | 5.4 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: Pentanoic acid, 2, 3, 4, 5, 5-octafluoro-, octyl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: Pentanoic acid, 2, 3, 4, 5, 5-octafluoro-, octyl ester: INACTIVE.
2,2,3,3,4,4,5,5-Octafluoropentanoic acid octyl ester is a carbon-based organic compound with CAS registry number 72828-80-9 and molecular formula C13H18F8O2 (molecular weight 358.27), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72828-80-9
Its molecular formula C13H18F8O2 comprises 13 C, 18 H, 8 F, 2 O atoms.
Also known as: 2,2,3,3,4,4,5,5-Octafluoropentanoic acid octyl ester · 2,2,3,3,4,4,5,5-八氟戊酸辛酯
Category: organic chemicals
The CAS registry number of 2,2,3,3,4,4,5,5-Octafluoropentanoic acid octyl ester is 72828-80-9.
Molecular formula C13H18F8O2, molecular weight 358.27.
It is also registered under: 2,2,3,3,4,4,5,5-Octafluoropentanoic acid octyl ester, 2,2,3,3,4,4,5,5-八氟戊酸辛酯.
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: Pentanoic acid, 2, 3, 4, 5, 5-octafluoro-, octyl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2,2,3,3,4,4,5,5-Octafluoropentanoic acid octyl ester (CAS 72828-80-9), compiled from public chemistry databases.
| CAS 号 | 72828-80-9 |
|---|---|
| PubChem CID | 3085851 |
| 分子式 | C13H18F8O2 |
| IUPAC 名称 | 2,2,3,3,4,4,5,5-octafluorooctyl pentanoate |
| UNII（FDA） | NS00011134 |
| Molecular Weight | 358.27 |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 358.11790511 |
| Monoisotopic Mass | 358.11790511 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 23 |
Pentanoic acid, 2,2,3,3,4,4,5,5-octafluoro-, octyl ester; 72828-80-9; DTXSID20880962; RefChem:368161; DTXCID701022301; 2,2,3,3,4,4,5,5-octafluorooctyl pentanoate; PQKROKRLQONMBH-UHFFFAOYSA-N; NS00011134
2,2,3,3,4,4,5,5-八氟戊酸辛酯 · CAS 72828-80-9 · C13H18F8O2. UNII NS00011134.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2,2,3,3,4,4,5,5-八氟戊酸辛酯