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octanesulphonic acid · CAS 3944-72-7 · C8H18O3S. UNII DU4821I15A.
| CAS Registry Number | 3944-72-7 |
|---|---|
| PubChem CID | 49939 |
| Molecular formula | C8H18O3S |
| IUPAC name | octane-1-sulfonic acid |
| UNII (FDA) | DU4821I15A |
| Molecular Weight | 194.29 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 194.09766561 |
| Monoisotopic Mass | 194.09766561 |
| Topological Polar Surface Area | 62.8 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS |
|---|
| Reported hazard statements | H314 (100%), H317 (100%) |
|---|
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
1-Octanesulfonic acid; 3944-72-7; Octanesulphonic acid; DU4821I15A; DTXSID5041277; RefChem:435177; DTXCID3021277; 223-535-3; octane-1-sulfonic acid; Sodium octylsulfonate; 1-Octane sulfonic acid; NSC2738; NSC23385; octane-1-sulphonic acid; UNII-DU4821I15A; octylsulfonic acid
CAS 3944-72-7; molecular formula C8H18O3S; molecular weight — g/mol.
1-Octanesulfonic acid, 3944-72-7, Octanesulphonic acid, DU4821I15A, DTXSID5041277, RefChem:435177.
Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.
Hazard statements reported: H314, H317.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.