Compound: 1,2,3-TRIMETHYLBENZENE
SMILES: c1(c(cccc1C)C)C
InChIKey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
Synonyms: 1,2,3-TRIMETHYLBENZENE, 526-73-8, Hemimellitene, Hemellitol, Hemimellitol, ZK4R7UPH6R, NSC-5167, DTXCID7027750, CHEBI:34037, RefChem:53594, 208-394-8, Trimethylbenzene, Benzene, 1,2,3-trimethyl-, 25551-13-7, DTXSID8047769, MFCD00008520, 1,2,3-trimethyl-benzene, Benzene, trimethyl-, 1,3-Trimethylbenzene, Hemimellitene, 90.5%, Benzene,2,3-trimethyl-, 1,2,3-Trimethylbenzene 100 microg/mL in Methanol, WLN: 1R B1 C1, 1,3-Trimethylbenzene, 90.5%, 1,2,3-Trimethylbenzene (>90%), NSC 5167, 1,2,3-Trimethylbenzene, 90.5%, EINECS 208-394-8, UNII-ZK4R7UPH6R, BRN 1903410, Trimethylbenzene, 1,2,3-, CCRIS 8145, HSDB 7551, Benzene, 1,2,3-trimethyl-; 1,2,3-Trimethylbenzene; Hemimellitene; Hemimellitol; NSC 5167; NSC 65599, trimethylarsenic dibromide, 1,2,3-TrimethyIbenzene, HEMIMELLITENE [HSDB], SCHEMBL40704, SCHEMBL57816, 4-05-00-01007 (Beilstein Handbook Reference), BIDD:ER0517, SCHEMBL125358, SCHEMBL201778, SCHEMBL231107, SCHEMBL2097640, SCHEMBL2097642, SCHEMBL2097706, SCHEMBL2815640, SCHEMBL2815641, SCHEMBL5079136, SCHEMBL9902695, SCHEMBL9903631, CHEMBL1797279, SCHEMBL17938458, SCHEMBL22284121, NSC5167, 1,2,3-TRIMETHYL BENZENE, NSC65599, Tox21_303868, EBC-80265, NSC-65599, SBB061131, AKOS009031505, MSK9072-1000M, 1,2,3-Trimethylbenzene (>90per cent), NCGC00357131-01, CAS-526-73-8, FT153715, DB-246429, 1,2,3-Trimethylbenzene, analytical standard, NS00010824, ST51047188, EN300-19373, 1,2,3-Trimethylbenzene, technical grade, 90%, F240607, Q4352416, F0001-1357, Z104473658, 1,2,3-Trimethylbenzene Solution in Methanol, 1000_g/mL, InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H
Theoretical properties:
molecular_formula: C9H12
molecular_weight: 120.19 g/mol
exact_mass: 120.093900383 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 9
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Distinctive, aromatic odor
boiling_point: 176.12 °C
melting_point: -25.4 °C
density: 0.8944 g/cu cm at 20 °C
solubility: Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride
flash_point: 44 to 53 °C (closed cup)
vapor_pressure: 1.69 [mmHg]
Descriptions:
pubchem: 1,2,3-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. It has a role as a neurotoxin and a plant metabolite.
chebi: A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in  <em>Centaurium erythraea</em>.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Mesitylene or 1,3,5-trimethylbenzene is a derivative of benzene with three methyl substituents positioned symmetrically around the ring. The other two isomeric trimethylbenzenes are 1,2,4-trimethylbenzene (pseudocumene) and 1,2,3-trimethylbenzene (hemimellitene). All three compounds have the formula C6H3(CH3)3, which is commonly abbreviated C6H3Me3. Mesitylene is a colorless liquid with sweet aromatic odor. It is a component of coal tar, which is its traditional source. It is a precursor to diverse fine chemicals. The mesityl group (Mes) is a substituent with the formula C6H2Me3 and is found in various other compounds.