1-(Methylthio)-dodecane (CAS 3698-89-3) — formula C13H28S, molecular weight 216.43; category organic chemicals.
| CAS Number | 3698-89-3 |
|---|---|
| Molecular Formula | C13H28S |
| Molecular Weight | 216.43 |
| LogP | 6.5 |
| Applications | Industry Uses: Intermediate, U.S. Production: 2023: 250, 000 - <550, 000 lb, 2022: 250, 2021: 50, 000 - <250, 2020: 50, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Dodecane, 1-(methylthio)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Industry Uses: Intermediate, U.S. Production: 2023: 250, 000 - <550, 000 lb, 2022: 250, 2021: 50, 000 - <250, 2020: 50, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Dodecane, 1-(methylthio)-: ACTIVE.
1-(Methylthio)-dodecane is a carbon-based organic compound with CAS registry number 3698-89-3 and molecular formula C13H28S (molecular weight 216.43), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3698-89-3
Its molecular formula C13H28S comprises 13 C, 28 H, 1 S atoms.
Also known as: 1-(Methylthio)-dodecane · 1-(甲硫基)-十二烷
Category: organic chemicals
The CAS registry number of 1-(Methylthio)-dodecane is 3698-89-3.
Molecular formula C13H28S, molecular weight 216.43.
It is also registered under: 1-(Methylthio)-dodecane, 1-(甲硫基)-十二烷.
Recorded applications: Industry Uses: Intermediate, U.S. Production: 2023: 250, 000 - <550, 000 lb, 2022: 250, 2021: 50, 000 - <250, 2020: 50, General Manufacturing Information: Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Dodecane, 1-(methylthio)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1-(Methylthio)-dodecane (CAS 3698-89-3), compiled from public chemistry databases.
| CAS Registry Number | 3698-89-3 |
|---|---|
| PubChem CID | 77287 |
| Molecular formula | C13H28S |
| IUPAC name | 1-methylsulfanyldodecane |
| UNII (FDA) | 77BO1DV08U |
| Molecular Weight | 216.43 |
|---|---|
| XLogP3 | 6.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 11 |
| Exact Mass | 216.19117207 |
| Monoisotopic Mass | 216.19117207 |
| Topological Polar Surface Area | 25.3 |
| Heavy Atom Count | 14 |
Dodecyl methyl sulfide; 3698-89-3; 1-(Methylsulfanyl)dodecane; 2-Thiatetradecane; Methylthiododecane; Methyl lauryl sulfide; Dodecane, 1-(methylthio)-; Dodecyl methyl sulphide; 1-(Methylthio)dodecane; Sulfide, dodecyl methyl; Methyl n-dodecyl sulfide; N-DODECYL METHYL SULFIDE; 1-Methylthiododecane; METHYL DODECYL SULFIDE; NSC 87889; 77BO1DV08U
| GHS notification summary | 0.9% (1 / 114) |
|---|
| GHS notification summary | 0.9% (1 / 114) |
|---|---|
| Reported hazard statements | H304 (33.3%), H315 (57.9%), H317 (33.3%), H318 (24.6%), H400 (57.9%), H410 (57.9%), H413 (41.2%) |
This chemical does not meet GHS hazard criteria for 0.9% (1 of 114) of reports.
H304 (33.3%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
1-(Methylthio)-dodecane · CAS 3698-89-3 · C13H28S. UNII 77BO1DV08U.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-(甲硫基)-十二烷