Anodyne| Phenol | |
|---|---|
| Molecular structure via molpic based on CDK |
| Rotamer [] | |
|---|---|
| Conformer structure via 3Dmol.js |
| Physical properties [] | |
|---|---|
| Molecular mass | 94.11 g/mol [1] |
| Density | 1.04 at 105.8 °F (USCG, 1999) - Denser than water; will sink g/cm3 [1] |
| Appearance | Colorless acicular crystals or white, crystalline mass [1] |
| Odor | Distinct aromatic, somewhat sickening sweet and acrid odor, discernable at 0.5 to 5 ppm [1] |
| Taste | Sharp, burning taste [1] |
| Melting point | 109 ° [1] |
| Boiling point | 360 ° [1] |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. [1] |
| Solubility | 50 to 100 mg/mL at 66 °F (NTP, 1992) [1] |
| Predicted LogP | 1.5 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C6H6O [1] |
| IUPAC name | phenol [1] |
| SMILES | C1=CC=C(C=C1)O [1] |
| InChI | InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H [1] |
| InChIKey | ISWSIDIOOBJBQZ-UHFFFAOYSA-N [1] |
| Toxicity [] | |
|---|---|
| LDLo | Human: - oral: 14 gm/kg - oral: 140 mg/kg Dog: - oral: 500 mg/kg Cat: - oral: 80 mg/kg - subcutaneous: 80 mg/kg Rabbit: - oral: 420 mg/kg - intraperitoneal: 620 mg/kg - subcutaneous: 620 mg/kg - intravenous: 180 mg/kg Guinea pig: - intraperitoneal: 300 mg/kg - subcutaneous: 450 mg/kg Frog: - subcutaneous: 75 mg/kg - parenteral: 290 mg/kg - subcutaneous: 290 mg/kg Human - infant: - oral: 10 mg/kg |
| LD50 | Rat: - oral: 317 mg/kg - skin: 669 mg/kg - subcutaneous: 460 mg/kg - intraperitoneal: 127 mg/kg Mouse: - oral: 270 mg/kg - intraperitoneal: 180 mg/kg - subcutaneous: 344 mg/kg - intravenous: 112 mg/kg Rabbit: - skin: 630 mg/kg Mammal (species unspecified): - oral: 500 mg/kg |
Phenol
Phenol (also known as carbolic acid, Hydroxybenzene, Phenic acid, Oxybenzene, Phenylic acid, Phenylic alcohol, Benzenol, Monophenol, Phenyl hydrate or Phenyl hydroxide)
Chemistry
Stereochemistry []
Phenol is a achiral mixture
| Anodyne Usernotes [] | |
|---|---|
| 0xea / Phenol via Oral and Dermal |
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See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 996, Phenol. Accessed August 6, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/996
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Phenol. UNII: 339NCG44TV. Global Substance Registration System. Accessed August 6, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/339NCG44TV