HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Dodecyne
dodec-1-yne · 1-C12H22 · 1-DODECYNE · odec-1-yne · 1-Dodecyne >1-Dodecyne,98% · Dodecane-1-yne · 1-DODECYNE 99% · 1-Dodecyne,97%
Identifiers & Physical Properties
| CAS No. | 765-03-7 |
|---|---|
| Molecular formula | C12H22 |
| Average molar mass | 166.3 g/mol |
| Monoisotopic mass | 166.1721507 g/mol |
| SMILES | C#CCCCCCCCCCC |
| InChIKey | ZVDBUOGYYYNMQI-UHFFFAOYSA-N |
| PubChem CID | 69821 |
| EC No. | 212-134-9 |
| DTXSID | DTXSID4061094 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 8 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 115 |
| SpringerMaterials Properties | Boiling point |
| Melting point | -19 °C (lit.) |
| Boiling point | 215 °C (lit.) |
| Density | 0.778 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.434(lit.) |
| Flash point | 175 °F |
| Physical state | Liquid |
| Color | Clear colorless to light yellow |
| Solubility | Not miscible in water. |
| BRN | 1741320 |
| Henry's law constant | 5.8×10-5 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3 |
| InChIKey | ZVDBUOGYYYNMQI-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCC#C |
| CAS DataBase Reference | 765-03-7(CAS DataBase Reference) |
| EPA Substance Registry System | 1-Dodecyne (765-03-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H318-H413 |
| GHS precautionary statements | P273-P280-P305+P351+P338-P501 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 41 |
| Safety statements (S) | 26-39 |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29012900 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Aquatic Chronic 4Eye Dam. 1 |
Safety & Regulations
| GHS classification | DangerH318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Eye Dam. 1 (97.5%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29012900 |
| Risk statements (R) | 41 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-39 |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H318-H413 |
| Hazard class | Aquatic Chronic 4Eye Dam. 1 |
| GHS precautionary statements | P273-P280-P305+P351+P338-P501 |
Applications & Uses
Uses
1-Dodecyne was used in the synthesis of stable ruthenium nanoparticles.