Compound: toluene
SMILES: c1(ccccc1)C
InChIKey: YXFVVABEGXRONW-UHFFFAOYSA-N
Synonyms: toluene, methylbenzene, toluol, 108-88-3, Phenylmethane, methacide, methylbenzol, antisal 1a, Benzene, methyl-, Toluen, tolu-sol, monomethyl benzene, Methane, phenyl-, Tolueen, Toluolo, phenyl methane, 1-Methylbenzene, RCRA waste number U220, Tolueno, methyl benzene, Caswell No. 859, NCI-C07272, CP 25, NSC 406333, DTXSID7021360, EPA Pesticide Chemical Code 080601, NSC-406333, 3FPU23BG52, DTXCID501360, CHEBI:17578, Methyl benzol, RefChem:6695, CHEBI:38975, 203-625-9, 946-198-0, methyl-Benzene, p-toluene, 4-methylbenzene, Benzene, methyl, UN 1294, TOLUENE-3,5-D2, MFCD00008512, CHEMBL9113, Toluene (Methyl-13C, 99%), Toluene, anhydrous, NCGC00090939-02, Tolueen [Dutch], Toluen [Czech], Toluene, analytical standard, Tolueno [Spanish], Toluolo [Italian], Toluene (Ring-D5, 98%), para-toluene, Toluene, ACS reagent, >=99.5%, Toluene 1000 microg/mL in Methanol, CAS-108-88-3, PHME, TOLUENE (RING-13C6, 99%), CCRIS 2366, HSDB 131, EINECS 203-625-9, UN1294, RCRA waste no. U220, UNII-3FPU23BG52, Dracyl, phenyl-methane, toluene solvent, 2-methylbenzene, toluene-, AI3-02261, MePh, 2-methyl benzene, 4-methyl-benzene, Toluene ACS Grade, Toluene-13C, Toluene HPLC grade, Methylbenzene, 9CI, Toluene, for HPLC, Methylbenzene anhydrous, PhCH3, Toluene, ACS reagent, Toluene, HPLC Grade, SCHEMBL1, 4i7k, TOLUENE [HSDB], TOLUENE [IARC], Toluene, 99.5%, SCHEMBL19, TOLUENE [MI], TOLUENE [MART.], SCHEMBL623, TOLUENE [USP-RS], Benzyl Alcohol Impurity 8, EC 203-625-9, SCHEMBL2671, SCHEMBL3594, SCHEMBL6896, Toluene, Environmental Grade, Toluene, Semiconductor Grade, SCHEMBL82300, Toluene, LR, >=99%, C6H5CH3, TOLUENE [GREEN BOOK], WLN: 1R, BIDD:ER0288, SCHEMBL144860, SCHEMBL144861, SCHEMBL217118, SCHEMBL247722, SCHEMBL253647, SCHEMBL259113, SCHEMBL530796, Toluene, anhydrous, 99.8%, Toluene, ASTM, 99.5%, Toluene, p.a., 99.5%, GTPL5481, SCHEMBL1264051, SCHEMBL2203075, SCHEMBL2515874, SCHEMBL3096690, SCHEMBL3796994, SCHEMBL5051512, SCHEMBL6860083, SCHEMBL6862147, SCHEMBL7574253, SCHEMBL7781309, SCHEMBL8105514, SCHEMBL9626025, SCHEMBL9786963, Toluene >99.9% for analysis, SCHEMBL10575118, SCHEMBL15987405, SCHEMBL22284130, SCHEMBL30189552, Toluene, AR, >=99.5%, Toluene, for HPLC, 99.9%, Toluene, LR, rectified, 99%, Toluene, HPLC grade, 99.8%, Toluene, Spectrophotometric Grade, Toluene 10 microg/mL in Methanol, Toluene, LR, sulfur free, 99%, Toluene, AR, rectified, 99.5%, Toluene, technical grade, 95.0%, GAA93323, MLA39935, RAA95438, Toluene, for HPLC, >=99.8%, Toluene, for HPLC, >=99.9%, Toluene, histology grade, practical, Toluene 100 microg/mL in Methanol, Tox21_111042, Tox21_201224, BDBM50008558, NSC406333, Toluene, purification grade, 99.8%, AKOS015840411, DB11558, Toluene, anhydrous, (water < 50ppm), Toluene, SAJ first grade, >=99.0%, NCGC00090939-01, NCGC00090939-03, NCGC00258776-01, Toluene [UN1294]  [Flammable liquid], Toluene ACS grade (benzene < 20 ppm), Toluene, JIS special grade, >=99.5%, Toluene, Laboratory Reagent, >=99.3%, RAMIPRIL IMPURITY G [EP IMPURITY], Toluene, for HPLC, >=99.7% (GC), Toluene, UV HPLC spectroscopic, 99.5%, Toluene, anhydrous, ZerO2(TM), 99.8%, DB-309420, NS00008096, Toluene, suitable for determination of dioxins, C01455, Q15779, Toluene, suitable for scintillation, >=99.7%, F600009, SR-01000944565, Toluene, ACS spectrophotometric grade, >=99.5%, SR-01000944565-1, Toluene, p.a., ACS reagent, reag. ISO, 99.5%, InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H, D5191 Vapor Pressure - 7.1kPa (1.03 psi), 10 x 10 mL, Methylbenzene; Toluene; Ramipril Imp. G (EP); Ramipril Impurity G, Toluene, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.5%, Toluene, absolute, over molecular sieve (H2O <=0.005%), >=99.7% (GC), Toluene, Pharmaceutical Secondary Standard; Certified Reference Material, Residual Solvent - Toluene, Pharmaceutical Secondary Standard; Certified Reference Material, Toluene, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.7% (GC), 25013-04-1, Toluene (water < 20 ppm) packed in returnable 18, 90, or 180 liter stainless steel cylinders
Theoretical properties:
molecular_formula: C7H8
molecular_weight: 92.14 g/mol
exact_mass: 92.062600255 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 7
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Sweet, pungent, benzene-like odor
boiling_point: 231.1 °F at 760 mmHg (NTP, 1992)
melting_point: -139 °F (NTP, 1992)
density: 0.867 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 64 °F (NTP, 1992)
flash_point: 40 °F (NTP, 1992)
vapor_pressure: 10 mmHg at 43.5 °F ; 20 mmHg at 65.1 °F; 40 mmHg at 89.2 °F (NTP, 1992)
Descriptions:
pubchem: Toluene can cause developmental toxicity according to an independent committee of scientific and health experts. It can cause female reproductive toxicity according to California Labor Code.
chebi: The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
chembl: TOLUENE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Toluene (), also known as toluol (), is a substituted aromatic hydrocarbon with the chemical formula C6H5CH3, often abbreviated as PhCH3, where Ph stands for the phenyl group. It is a colorless, water-insoluble liquid with the odor associated with paint thinners. It is a mono-substituted benzene derivative, consisting of a methyl group (CH3) attached to a phenyl group by a single bond. As such, its systematic IUPAC name is methylbenzene. Toluene is predominantly used as an industrial feedstock and a solvent.
As the solvent in some types of paint thinner, permanent markers, contact cement and certain types of glue, toluene is sometimes used as a recreational inhalant and has the potential of causing severe neurological harm.