HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dodecyl 2-bromo-2-methylpropanoate
Dodecyl 2-broMoisobutyrate · dodecyl 2-bromo-2-methylpropanoate · Propanoic acid, 2-bromo-2-methyl-, dodecyl ester
Identifiers & Physical Properties
| CAS No. | 934001-46-4 |
|---|---|
| Molecular formula | C16H31BrO2 |
| Average molar mass | 335.32 g/mol |
| Monoisotopic mass | 334.15074 g/mol |
| SMILES | CCCCCCCCCCCCOC(=O)C(C)(C)Br |
| InChIKey | TUPZPNIRCIQNLF-UHFFFAOYSA-N |
| PubChem CID | 22015114 |
| EC No. | 687-402-5 |
| DTXSID | DTXSID50621507 |
Chemical & Physical Properties
| XLogP | 7.1 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 13 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 227 |
| Boiling point | 318.3±10.0 °C(Predicted) |
| Density | 1.058 g/mL at 25 °C |
| Refractive index | n20/D1.455 |
| Flash point | >110℃ |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Hazard symbols | Xn |
| Risk statements (R) | 22-37/38-41 |
| Safety statements (S) | 26-39 |
| Water hazard class (WGK) | 3 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Water hazard class (WGK) | 3 |
| Risk statements (R) | 22-37/38-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-39 |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |