Compound: MESITYLENE
SMILES: c1(cc(cc(c1)C)C)C
InChIKey: AUHZEENZYGFFBQ-UHFFFAOYSA-N
Synonyms: MESITYLENE, 1,3,5-Trimethylbenzene, 108-67-8, sym-Trimethylbenzene, 3,5-Dimethyltoluene, Fleet-X, Trimethylbenzol, Benzene, 1,3,5-trimethyl-, DTXSID6026797, 887L18KQ6X, NSC-9273, DTXCID506797, CHEBI:34833, Symmetrical trimethylbenzene, RefChem:6006, 203-604-4, s-Trimethylbenzene, 2,4,6-trimethylbenzene, 1,3,5-trimethyl-benzene, NSC 9273, MFCD00008538, Trimethylbenzene, 1,3,5-, CAS-108-67-8, HSDB 92, EINECS 203-604-4, UN2325, UNII-887L18KQ6X, AI3-23973, CCRIS 8147, Mesitylene, 98%, MESITYLENE [MI], MESITYLENE [HSDB], 1,3, 5-Trimethylbenzene, EC 203-604-4, SCHEMBL18896, SCHEMBL26115, BIDD:ER0286, SCHEMBL395943, Mesitylene (ACD/Name 4.0), Mesitylene, analytical standard, SCHEMBL2098028, SCHEMBL2811955, SCHEMBL2811957, SCHEMBL4255312, SCHEMBL8428241, SCHEMBL8428244, SCHEMBL9183357, SCHEMBL9489030, CHEMBL1797281, SCHEMBL10874521, WLN: 1R C1 E1, Mesitylene, reagent grade, 97%, MSK9074, NSC9273, BENZENE,1,3,5-TRIMETHYL, STR03436, Tox21_201452, Tox21_300341, EBC-80261, SBB060395, STL268905, 1,3,5-Trimethylbenzene (Mesitylene), AKOS000120144, MSK9074-1000M, Mesitylene, purum, >=98.0% (GC), UN 2325, NCGC00247999-01, NCGC00247999-02, NCGC00254430-01, NCGC00259003-01, NS00004224, S0658, ST51046584, EN300-19371, F095021, Q425161, 1,3,5-Trimethylbenzene 100 microg/mL in Methanol, 1,3,5-Trimethylbenzene [UN2325]  [Flammable liquid], F0001-0175, Mesitylene, certified reference material, TraceCERT(R), Z104473654, 1,3,5-Trimethylbenzene Solution in Methanol, 1000ug/mL, InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/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: Clear, colorless liquid
color: Clear, colorless liquid
odor: Peculiar odor
boiling_point: 329 °F at 760 mmHg (NIOSH, 2024)
melting_point: -49 °F (NIOSH, 2024)
density: 0.86 (NIOSH, 2024) - Less dense than water; will float
solubility: 0.002 % (NIOSH, 2024)
flash_point: 122 °F (NIOSH, 2024)
vapor_pressure: 2 mmHg (NIOSH, 2024)
Descriptions:
pubchem: 1,3,5-trimethylbenzene is a trimethylbenzene carrying methyl substituents at positions 1, 3 and 5.
chebi: A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5.
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.