Compound: 1,2,4-TRIMETHYLBENZENE
SMILES: c1(c(ccc(c1)C)C)C
InChIKey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
Synonyms: 1,2,4-TRIMETHYLBENZENE, Pseudocumene, 95-63-6, Pseudocumol, Psi-cumene, as-Trimethylbenzene, 1,3,4-Trimethylbenzene, Benzene, 1,2,4-trimethyl-, 1,2,5-Trimethylbenzene, Uns-trimethylbenzene, Asymmetrical trimethylbenzene, 1,2,4-trimethyl-benzene, Benzene, 1,2,5-trimethyl-, DTXSID6021402, METHYL-P-XYLENE, NSC-65600, 34X0W8052F, DTXCID701402, CHEBI:34039, Assymetrical trimethylbenzene, PSICUMENE, RefChem:71555, 202-436-9, .psi.-Cumene, pseudo-cumene, 1,2,4-Trimethyl benzene, NSC 65600, MFCD00008527, CAS-95-63-6, 1,2,4-Trimethylbenzene, analytical standard, HSDB 5293, EINECS 202-436-9, pseudo cumene, AI3-03976, CCRIS 8146, UNII-34X0W8052F, 1,4-Trimethylbenzene, PSUEDO-CUMENE, laquo Psiraquo -Cumene, Benzene,2,4-trimethyl-, PSEUDOCUMENE [MI], 1,2,5-trimethyl-benzene, 1,2, 4-Trimethylbenzene, EC 202-436-9, SCHEMBL40588, SCHEMBL60541, SCHEMBL95598, BIDD:ER0682, SCHEMBL162868, SCHEMBL297382, SCHEMBL316111, SCHEMBL394363, SCHEMBL394583, SCHEMBL1932887, SCHEMBL1932890, SCHEMBL2098321, SCHEMBL2098323, SCHEMBL3929688, SCHEMBL3929691, SCHEMBL7664186, SCHEMBL8856918, CHEMBL1797280, SCHEMBL10422356, SCHEMBL29365203, WLN: 1R B1 D1, 1,2,4-Trimethylbenzene, 98%, 21 - VOCs (Perkin Elmer tubes), NSC65600, TRIMETHYLBENZENE, 1,2,4-, Tox21_200518, Tox21_300049, EBC-80263, SBB060396, STL268868, 06C - Benzene, Toluene and Xylenes, AKOS000120059, MSK9073-1000M, 1,2,4-Trimethylbenzene (pseudocumene), 1,2,4-TRIMETHYLBENZENE [HSDB], NCGC00247891-01, NCGC00247891-02, NCGC00254118-01, NCGC00258072-01, PS-11947, 1,2,4-Trimethylbenzene (ACD/Name 4.0), NS00006467, S0662, ST51046585, EN300-20076, G92359, Q376994, 1,2,4-Trimethylbenzene 100 microg/mL in Methanol, F0001-2275, Z104476700, 1,2,4-Trimethylbenzene Solution in Methanol, 1000ug/mL, 1,2,4-Trimethylbenzene, certified reference material, TraceCERT(R), InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H, 95-36-3, XBZ
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: Clear, colorless liquid
color: Clear, colorless liquid
odor: Distinctive, aromatic odor
boiling_point: 334.4 °F at 760 mmHg (USCG, 1999)
melting_point: -47.2 °F (USCG, 1999)
density: 0.889 (USCG, 1999) - Less dense than water; will float
solubility: 0.006 % (NIOSH, 2024)
flash_point: 111 °F (USCG, 1999)
vapor_pressure: 4.9 mmHg (USCG, 1999)
Descriptions:
pubchem: 1,2,4-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 4. It has a role as a neurotoxin.
chebi: A trimethylbenzene carrying methyl groups at positions 1, 2 and 4.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 1,2,4-Trimethylbenzene, also known as pseudocumene, is an organic compound with the chemical formula C6H3(CH3)3. Classified as an aromatic hydrocarbon, it is a flammable colorless liquid with a strong odor. It is nearly insoluble in water but soluble in organic solvents. It occurs naturally in coal tar and petroleum (about 3%). It is one of the three isomers of trimethylbenzene.