Anodyne| Toluene | |
|---|---|
| Molecular structure via molpic based on CDK |
| Conformer [] | |
|---|---|
| Conformer structure via JSmol | |
| Physical properties [] | |
|---|---|
| Molecular mass | 92.14 g/mol [1] |
| Density | 0.867 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm3 [1] |
| Appearance | Colorless liquid [1] |
| Odor | Sweet, pungent, benzene-like odor [1] |
| Melting point | -139 °F (NTP, 1992) [1] |
| Boiling point | 231.1 ° [1] |
| Decomposition | Can react vigorously with oxidizing materials. [1] |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) [1] |
| Predicted LogP | 2.7 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C7H8 [1] |
| IUPAC name | toluene [1] |
| SMILES | CC1=CC=CC=C1 [1] |
| InChI | InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3 [1] |
| InChIKey | YXFVVABEGXRONW-UHFFFAOYSA-N [1] |
| Toxicity [] | |
|---|---|
| LDLo | Human: - oral: 50 mg/kg Rabbit: - intravenous: 130 mg/kg Frog: - subcutaneous: 920 mg/kg Mammal (species unspecified): - intraperitoneal: 1750 mg/kg Human - male: - oral: 719 μL/kg |
| LD50 | Rat: - oral: 636 mg/kg - intravenous: 1960 mg/kg - intraperitoneal: 1332 mg/kg Mouse: - subcutaneous: 2250 mg/kg - intraperitoneal: 59 mg/kg Rabbit: - skin: 14100 μL/kg Guinea pig: - intraperitoneal: 500 mg/kg Mammal (species unspecified): - oral: 4 gm/kg |
| LC50 | Rat: - inhalation: 49 gm/m3/4H Mammal (species unspecified): - inhalation: 30 gm/m3 Mouse: - inhalation: 400 ppm/24H |
Toluene
Toluene (also known as methylbenzene, toluol, Phenylmethane, Benzene, methyl-, methacide, methylbenzol, antisal 1a, Toluen, tolu-sol or monomethyl benzene) is a dissociative, n-methyl-d-aspartic acid receptor antagonist and antinicotinic substance of the alkylbenzene class.
Chemistry
Stereochemistry []
Toluene is a achiral mixture
Experience reports []
There are currently 2 experience reports involving toluene on OpenErowid:
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 1140, Toluene. Accessed August 6, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/1140
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Toluene. UNII: 3FPU23BG52. Global Substance Registration System. Accessed August 6, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3FPU23BG52