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1,2,3-Trimethylbenzene

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CAS:526-73-8
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  • 1,2,3-Trimethylbenzene
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  • 2021-07-10
  • CAS:526-73-8
  • Min. Order: 1KG
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1,2,3-Trimethylbenzene Basic information
Product Name:1,2,3-Trimethylbenzene
Synonyms:1,2,3-TRIMETHYLBENZENE;HEMELLITOL;HEMIMELLITENE;hemimellitol;1,2,3-TRIMETHYLBENZENE, TECH., 90%;1,2,3-TRIMETHYLBENZENE OEKANAL, 250 MG;HEMIMELLITINE;1.2.3-TRIMETHYLBENZENE AR
CAS:526-73-8
MF:C9H12
MW:120.19
EINECS:208-394-8
Product Categories:
Mol File:526-73-8.mol
1,2,3-Trimethylbenzene Structure
1,2,3-Trimethylbenzene Chemical Properties
Melting point −25 °C(lit.)
Boiling point 175-176 °C(lit.)
density 0.894 g/mL at 25 °C(lit.)
vapor density 4.15 (vs air)
vapor pressure 3.4 mm Hg ( 37.7 °C)
refractive index n20/D 1.513(lit.)
Fp 119 °F
solubility Soluble in acetone, alcohol, benzene, and ether (Weast, 1986)
pka>14 (Schwarzenbach et al., 1993)
color Colorless to Light yellow
Odor Threshold0.032ppm
Water Solubility 65.51mg/L(25 ºC)
BRN 1903410
Henry's Law Constant3.18 at 25 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limitsNIOSH REL: TWA 25 ppm (125 mg/m3); ACGIH TLV: TWA for mixed isomers 25 ppm (adopted).
Dielectric constant2.6600000000000001
Stability:Stable. Flammable. Incompatible with strong oxidizing agents.
LogP3.660
CAS DataBase Reference526-73-8(CAS DataBase Reference)
NIST Chemistry ReferenceBenzene, 1,2,3-trimethyl-(526-73-8)
EPA Substance Registry System1,2,3-Trimethylbenzene (526-73-8)
Safety Information
Hazard Codes Xi
Risk Statements 10-37-36/37/38
Safety Statements 16-26
RIDADR UN 3295 3/PG 3
WGK Germany 3
RTECS DC3300000
Autoignition Temperature878 °F
HazardClass 3.2
PackingGroup III
HS Code 2902900000
Hazardous Substances Data526-73-8(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
1,2,3-Trimethylbenzene Usage And Synthesis
Chemical PropertiesTrimethylbenzenes exists in three isomeric forms. All isomers are clear, colorless liquids with a distinctive, aromatic odor.
Chemical Propertiescolourless liquid
Physical propertiesClear, colorless, flammable liquid with an aromatic odor similar to propylbenzene, ethylbenzenes, or xylenes.
UsesRaw material for chemical synthesis.
DefinitionChEBI: A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea.
Synthesis Reference(s)Journal of the American Chemical Society, 62, p. 2639, 1940 DOI: 10.1021/ja01867a017
Organic Syntheses, Coll. Vol. 4, p. 508, 1963
HazardCombustible. Central nervous system impairment, asthma, and hematologic effects.
Safety ProfileMildly toxic by ingestion, Flammable liquid when exposed to heat, sparks, or flame. To fight fire, use water spray, mist, dry chemical, CO2, foam. When heated to decomposition it emits acrid smoke and irritating fumes.
Potential Exposure(1,2,3-and 1,2,4-isomers): These materials are used as solvents and in dye and perfume manufacture. The 1,2,3-isomer is used as raw material in chemical synthesis and as an UV stabilizer. The 1,2,4-isomer is used as the raw material for trimellitic anhydride manufacture. These compounds are found in diesel engine exhaust fumes.
SourceDetected in distilled water-soluble fractions of 87 octane gasoline (0.30 mg/L), 94 octane gasoline (0.81 mg/L), Gasohol (0.80 mg/L), No. 2 fuel oil (0.22 mg/L), diesel fuel (0.09 mg/L), and military jet fuel JP-4 (0.19 mg/L) (Potter, 1996).
Thomas and Delfino (1991) equilibrated contaminant-free groundwater collected from Gainesville, FL with individual fractions of three individual petroleum products at 24–25 °C for 24 h. The aqueous phase was analyzed for organic compounds via U.S. EPA approved test method 602. Average 1,2,3-trimethylbenzene concentrations detected in water-soluble fractions of unleaded gasoline, kerosene, and diesel fuel were 1.219, 0.405, and 0.118 mg/L, respectively.
When the authors analyzed the aqueous-phase via U.S. EPA approved test method 610, average 1,2,3-trimethylbenzene concentrations in water-soluble fractions of unleaded gasoline, kerosene, and diesel fuel were smaller, i.e., 742, 291, and 105 μg/L, respectively.
Environmental fatePhotolytic. Glyoxal, methylglyoxal, and biacetyl were produced from the photooxidation of 1,2,3-trimethylbenzene by OH radicals in air at 25 °C (Tuazon et al., 1986a). The rate constant for the reaction of 1,2,3-trimethylbenzene and OH radicals at room temperature was 1.53 x 10-11 cm3/molecule?sec (Hansen et al., 1975). A rate constant of 1.49 x 10-8 L/molecule?sec was reported for the reaction of 1,2,3-trimethylbenzene with OH radicals in the gas phase (Darnall et al., 1976). Similarly, a room temperature rate constant of 3.16 x 10-11 cm3/molecule?sec was reported for the vapor-phase reaction of 1,2,3-trimethylbenzene with OH radicals (Atkinson, 1985). At 25 °C, a rate constant of 2.69 x 10-11 cm3/molecule?sec was reported for the same reaction (Ohta and Ohyama, 1985). 2,3-Butanedione was the only products identified from the OH radical-initiated reaction of 1,2,4-trimethylbenzene in the presence of nitrogen dioxide. The amount of 2,3- butanedione formed decreased with increased concentration of nitrogen dioxide (Bethel et al., 2000).
Chemical/Physical. 1,2,3-Trimethylbenzene will not hydrolyze because it does not contain a hydrolyzable group (Kollig, 1993).
ShippingUN3295 Hydrocarbons, liquid, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid. UN1993 Flammable liquids, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required. 1,3,5-Trimethylbenzene; UN2325, Hazard Class: 3; Labels: 3-Flammable liquid. 1,2,4-Trimethylbenzene:
IncompatibilitiesVapors may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.
Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
Tag:1,2,3-Trimethylbenzene(526-73-8) Related Product Information
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