octadecyl 3-mercaptopropionate (CAS 31778-15-1) — formula C21H42O2S, molecular weight 358.6; category organic chemicals.
| CAS Number | 31778-15-1 |
|---|---|
| Molecular Formula | C21H42O2S |
| Molecular Weight | 358.6 |
| LogP | 9.1 |
| 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.
Independent reference data for octadecyl 3-mercaptopropionate (CAS 31778-15-1), compiled from public chemistry databases.
| CAS Registry Number | 31778-15-1 |
|---|---|
| PubChem CID | 169361 |
| Molecular formula | C21H42O2S |
| IUPAC name | octadecyl 3-sulfanylpropanoate |
| UNII (FDA) | NS00022043 |
| Molecular Weight | 358.6 |
|---|---|
| XLogP3 | 9.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 20 |
| Exact Mass | 358.29055175 |
| Monoisotopic Mass | 358.29055175 |
| Topological Polar Surface Area | 27.3 |
| Heavy Atom Count | 24 |
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
| 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]
octadecyl 3-mercaptopropionate · CAS 31778-15-1 · C21H42O2S. UNII NS00022043.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.