HuagongsheHuagongshe Chemistry Print Report · For research reference only
(Prop-2-ynyloxy)benzene
(Prop-2-yn-1-yloxy)benzene · HC≡CCH2OC6H5 · prop-2-ynoxybenzene · TIMTEC-BB SBB008983 · 3-PHENOXYPROP-1-YNE · Propargyloxybenzene · Propargylphenylether · (Propargyloxy)benzene
Identifiers & Physical Properties
| CAS No. | 13610-02-1 |
|---|---|
| Molecular formula | C9H8O |
| Average molar mass | 132.16 g/mol |
| Monoisotopic mass | 132.05751488 g/mol |
| SMILES | C#CCOc1ccccc1 |
| InChIKey | AIQRJSXKXVZCJO-UHFFFAOYSA-N |
| PubChem CID | 83613 |
| ChEMBL | CHEMBL28385 |
| EC No. | 237-095-5 |
| DTXSID | DTXSID50159653 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 125 |
| Melting point | 273℃ (decomposition) |
| Boiling point | 89-90°C 14mm |
| Density | 1.030 g/mL at 20 °C (lit.) |
| Refractive index | n20/D 1.535 |
| Flash point | 89-90°C/14mm |
| Storage conditions | 2-8°C |
| Solubility | Soluble in chloroform.Slightly soluble in water (1.0 g/L at 25°C). |
| Physical state | Liquid |
| Specific gravity | 1.077 |
| Color | Colorless to yellow |
| Sensitivity | Air & Light Sensitive |
| BRN | 2040910 |
| InChI | 1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2 |
| InChIKey | AIQRJSXKXVZCJO-UHFFFAOYSA-N |
| SMILES | C#CCOc1ccccc1 |
| CAS DataBase Reference | 13610-02-1(CAS DataBase Reference) |
| FDA UNII | RN9AYQ8LES |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H315-H318-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 37/38-41 |
| Safety statements (S) | 26-39 |
| UN transport number | NA 1993 / PGIII |
| Water hazard class (WGK) | 3 |
| F | 8-10-23 |
| Customs code | 29093090 |
| Storage class | 10 - Combustible liquids |
| Hazard class | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 8-10-23 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | NA 1993 / PGIII |
| Customs code | 29093090 |
| Risk statements (R) | 37/38-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-39 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H318-H335 |
| Hazard class | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Phenyl propargyl ether is used as building block for synthesis.