HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Iodooctadecane
Octadecane, 1-iodo- · OCTADECYL IODIDE · Iododecane · STEARYL IODIDE · Otadecyl iodide · 1-iodo-octadecan · 1-Iodooctadecane · Iodooctadecane,98%
Identifiers & Physical Properties
| CAS No. | 629-93-6 |
|---|---|
| Molecular formula | C18H37I |
| Average molar mass | 380.4 g/mol |
| Monoisotopic mass | 380.19399918 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCI |
| InChIKey | ZNJOCVLVYVOUGB-UHFFFAOYSA-N |
| PubChem CID | 12402 |
| EC No. | 211-117-3 |
| DTXSID | DTXSID7060881 |
Chemical & Physical Properties
| XLogP | 10.7 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 16 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 145 |
| Chemical classes | Other Classes -> Halogenated Aliphatics, Saturated |
| Physical Description | Light yellow pastemp = 33-35 deg C[Sigma-Aldrich MSDS] |
| Melting point | 33-35 °C (lit.) |
| Boiling point | 194-197 °C/2 mmHg (lit.) |
| Density | 1.0959 (rough estimate) |
| Refractive index | 1.4762 (estimate) |
| Flash point | 110 °C |
| Storage conditions | RT, protect from light |
| Solubility | within almost transparency in Toluene |
| Physical state | powder to lump to clear liquid |
| Color | White or Colorless to Light yellow |
| BRN | 1755880 |
| InChI | InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3 |
| InChIKey | ZNJOCVLVYVOUGB-UHFFFAOYSA-N |
| SMILES | C(I)CCCCCCCCCCCCCCCCC |
| CAS DataBase Reference | 629-93-6(CAS DataBase Reference) |
| FDA UNII | K8J7D7A7XG |
| EPA Substance Registry System | Octadecane, 1-iodo- (629-93-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| F | 8-10 |
| TSCA inventory status | TSCA listed |
| Customs code | 29033990 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazards summary | A skin and strong eye irritant[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29033990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Reagent for introduction of C18 chain.