2-Propenylphenol
(E)-2-(prop-1-en-1-yl)phenol · Brn 2324090 · Einecs 228-961-3 · 2-PROPENYLPHENOL · o-propenyl-pheno · 2-propenyl-pheno · Phenol, o-propenyl- · Phenol, 2-propenyl-
Identifiers & Physical Properties
| CAS No. | 6380-21-8 |
|---|---|
| Molecular formula | C9H10O |
| Average molar mass | 134.17 g/mol |
| Monoisotopic mass | 134.07316494 g/mol |
| SMILES | CC=Cc1ccccc1O |
| InChIKey | WHGXZPQWZJUGEP-UHFFFAOYSA-N |
| PubChem CID | 93029 |
| EC No. | 228-961-3 |
| DTXSID | DTXSID70871163 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 118 |
| Chemical classes | Other Classes -> Phenols |
| Physical Description | Colorless viscous liquid[Sigma-Aldrich MSDS] |
| Melting point | -6°C |
| Boiling point | 230-231 °C(lit.) |
| Density | 1.044 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.578(lit.) |
| Flash point | 195 °F |
| InChI | InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-7,10H,1H3 |
| InChIKey | WHGXZPQWZJUGEP-GORDUTHDSA-N |
| SMILES | C1(O)=CC=CC=C1C=CC |
| EWG's Food Scores | 1 |
| FDA UNII | 3P9OH16T17 |
| 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) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36/37/39 |
| UN transport number | UN 3145 8/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | SM8575000 |
| Hazard class | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Storage class | 10 - Combustible liquids |
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Phenol, 2-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | An irritant that may cause serious eye injury[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | SM8575000 |
| UN transport number | UN 3145 8/PG 3 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | 6.1(b)Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
Applications & Uses
Description
2-Propenylphenol, a mixture of cis and trans, is extensively employed in chemical research. 2-Propenylphenol, a Mixture Of Cis And Trans, is studied for its ability to polymerize and develop new polymeric materials with specific mechanical and chemical properties. It is utilized to investigate the effects of geometric isomerism on organic compounds' physical and chemical behaviour. The mixture′s role in synthesising advanced organic molecules, particularly those with potential applications in high-performance coatings and adhesives, is also a significant area of study.
General Description
2-Propenylphenol on reaction with 2, 3-dichloro-5, 6-dicyanobenzoquinone yields spiropyran.