HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3-Amino-2-methylphenyl)methanol
(3-amino-2-methylphenyl)methanol · Oct-7-enylamine · (3-Amino-2-methylphenyl) · 3-AMINO-2-METHYLBENZYL ALCOHOL · 3-Amino-2-methylbenzenemethanol · Benzenemethanol, 3-amino-2-methyl- · 3-Amino-2-methylbenzyl alcohol 97% · 3-Amino-2-methylbenzyl alcohol USP/EP/BP
Identifiers & Physical Properties
| CAS No. | 83647-42-1 |
|---|---|
| Molecular formula | C8H11NO |
| Average molar mass | 137.18 g/mol |
| Monoisotopic mass | 137.08406397 g/mol |
| SMILES | Cc1c(N)cccc1CO |
| InChIKey | UVYZMJMDIMWDNJ-UHFFFAOYSA-N |
| PubChem CID | 577175 |
| EC No. | 627-527-4 |
| DTXSID | DTXSID00341940 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 46.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 105 |
| Melting point | 106-108 °C (lit.) |
| Boiling point | 300.8±27.0 °C(Predicted) |
| Density | 1.126±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | Powder |
| pKa (acidity coefficient) | 14.53±0.10(Predicted) |
| Color | Off-white to light orange/purple |
| InChI | 1S/C8H11NO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5,9H2,1H3 |
| InChIKey | UVYZMJMDIMWDNJ-UHFFFAOYSA-N |
| SMILES | Cc1c(N)cccc1CO |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-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) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| 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 41 reports by companies from 4 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 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| 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-P305+P351+P338 |
Applications & Uses
Uses
3-Amino-2-methylbenzyl alcohol may be used in chemical synthesis.