HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Hydroxybenzyl alcohol
3-(Hydroxymethyl)phenol · 3-METHYLOLPHENOL · Metaraminol Impurity 3 · M-HYDROXYBENZYL ALCOHOL · KSD 2405 · KDS 2405 · 3-Methylolphenl · RARECHEM AL BD 0067
Identifiers & Physical Properties
| CAS No. | 620-24-6 |
|---|---|
| Molecular formula | C7H8O2 |
| Average molar mass | 124.14 g/mol |
| Monoisotopic mass | 124.0524295 g/mol |
| SMILES | OCc1cccc(O)c1 |
| InChIKey | OKVJCVWFVRATSG-UHFFFAOYSA-N |
| PubChem CID | 102 |
| ChEMBL | CHEMBL3337531 |
| ChEBI | CHEBI:17069 |
| EC No. | 210-633-6 |
| DTXSID | DTXSID20211035 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 40.5 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 83 |
| LogP (partition coefficient) | 0.5 |
| Physical Description | Solid |
| Collision Cross Section | 122.3 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]123 Ų [M-H]- |
| Melting point | 69-72 °C (lit.) |
| Boiling point | 300°C |
| Density | 1,16 g/cm3 |
| Refractive index | 1.5035 (estimate) |
| Flash point | 300°C |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly)soluble |
| pKa (acidity coefficient) | pK1:9.83 (25°C) |
| Physical state | Crystalline Powder |
| Color | Pink or beige to brown |
| BRN | 2041500 |
| InChI | 1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 |
| InChIKey | OKVJCVWFVRATSG-UHFFFAOYSA-N |
| SMILES | OCc1cccc(O)c1 |
| LogP (partition coefficient) | 0.490 |
| CAS DataBase Reference | 620-24-6(CAS DataBase Reference) |
| FDA UNII | H652F6XF7Y |
| NIST Chemistry Reference | Benzenemethanol, 3-hydroxy-(620-24-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H315-H318-H335 |
| GHS precautionary statements | P280-P302+P352-P305+P351+P338+P310 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38-41 |
| Safety statements (S) | 26-36/39 |
| Water hazard class (WGK) | 3 |
| RTECS number | DA4796700 |
| Customs code | 29072900 |
| Storage class | 11 - Combustible Solids |
| 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+P351+P338, P305+P354+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| RTECS number | DA4796700 |
| Customs code | 29072900 |
| Risk statements (R) | 36/37/38-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36/39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H318-H335 |
| Hazard class | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P280-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Uses
3-Hydroxybenzyl alcohol is used as an intermediate to produce other chemicals like 3-Oxy-1'-acetoxy-1-methyl-benzol.