3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate (CAS 53161-46-9) — formula C27H54O5, molecular weight 458.7; category organic chemicals.
| CAS Number | 53161-46-9 |
|---|---|
| Molecular Formula | C27H54O5 |
| Molecular Weight | 458.7 |
| LogP | 8.8 |
| Category | Organic Chemicals |
3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate is a carbon-based organic compound with CAS registry number 53161-46-9 and molecular formula C27H54O5 (molecular weight 458.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 53161-46-9
Its molecular formula C27H54O5 comprises 27 C, 54 H, 5 O atoms.
Also known as: 3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate · 3-羟基-2,2-双(羟甲基)丙基二十二烷酸酯
Category: organic chemicals
The CAS registry number of 3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate is 53161-46-9.
Molecular formula C27H54O5, molecular weight 458.7.
It is also registered under: 3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate, 3-羟基-2,2-双(羟甲基)丙基二十二烷酸酯.
Category: Organic Chemicals.
Independent reference data for 3-hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate (CAS 53161-46-9), compiled from public chemistry databases.
| CAS 号 | 53161-46-9 |
|---|---|
| PubChem CID | 104420 |
| 分子式 | C27H54O5 |
| IUPAC 名称 | [3-hydroxy-2,2-bis(hydroxymethyl)propyl] docosanoate |
| UNII（FDA） | HN66T7Z22J |
| Molecular Weight | 458.7 |
|---|---|
| XLogP3 | 8.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 26 |
| Exact Mass | 458.39712482 |
| Monoisotopic Mass | 458.39712482 |
| Topological Polar Surface Area | 87 |
| Heavy Atom Count | 32 |
Docosanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester; DTXSID10886039; RefChem:590046; DTXCID301025389; Pentaerythritol monobehenate; pentaerythritol behenate; 53161-46-9; pentaerythrityl monobehenate; 3-Hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate; HN66T7Z22J; EINECS 258-401-3; UNII-HN66T7Z22J; SCHEMBL217209; Docosanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester; NS00056933; Q27280012
3-羟基-2,2-双(羟甲基)丙基二十二烷酸酯 · CAS 53161-46-9 · C27H54O5. UNII HN66T7Z22J.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-羟基-2,2-双(羟甲基)丙基二十二烷酸酯