octadecyl 3-mercaptopropionate (CAS 31778-15-1) — formula C21H42O2S, molecular weight 358.6; category organic chemicals.
octadecyl 3-mercaptopropionate is a carbon-based organic compound with CAS registry number 31778-15-1 and molecular formula C21H42O2S (molecular weight 358.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31778-15-1
Its molecular formula C21H42O2S comprises 21 C, 42 H, 2 O, 1 S atoms.
Also known as: octadecyl 3-mercaptopropionate
Category: organic chemicals
The CAS registry number of octadecyl 3-mercaptopropionate is 31778-15-1.
Molecular formula C21H42O2S, molecular weight 358.6.
It is also registered under: octadecyl 3-mercaptopropionate.
Category: Organic Chemicals.
Public-database records for octadecyl 3-mercaptopropionate (CAS 31778-15-1), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H315 (72.4%), H317 (27.6%), H319 (72.4%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (72.4%): Causes skin irritation [Warning Skin corrosion/irritation]
| CAS Registry Number | 31778-15-1 |
|---|---|
| PubChem CID | 169361 |
| 分子式 | C21H42O2S |
| IUPAC 名称 | octadecyl 3-sulfanylpropanoate |
| UNII（FDA） | NS00022043 |
31778-15-1; Octadecyl 3-mercaptopropionate; Propanoic acid, 3-mercapto-, octadecyl ester; octadecyl 3-mercaptopropanoate; EINECS 250-801-6; DTXSID4067646; RefChem:869513; DTXCID5038418; 250-801-6; octadecyl 3-sulfanylpropanoate; MFCD00046844; 3-Mercaptopropionic Acid Octadecyl Ester; Octadecyl 3-mercaptopropionate (contains ca. 12% Hexadecyl 3-mercaptopropionate); Stearyl 3-Mercaptopropionate; C21H42O2S; octadecyl3-mercaptopropanoate
| 分子量 | 358.6 |
|---|---|
| XLogP3 | 9.1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 20 |
| 精确质量 | 358.29055175 |
| 单同位素质量 | 358.29055175 |
| 拓扑极性表面积 | 27.3 |
| 重原子数 | 24 |
| 形式电荷 | 0 |
octadecyl 3-mercaptopropionate · CAS 31778-15-1 · C21H42O2S. UNII NS00022043.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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