|
| | 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 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) | | form | neat | | color | Colorless to Light yellow | | Odor Threshold | 0.032ppm | | Water Solubility | 65.51mg/L(25 ºC) | | BRN | 1903410 | | Henry's Law Constant | 3.18 at 25 °C (approximate - calculated from water solubility and vapor pressure) | | Exposure limits | NIOSH REL: TWA 25 ppm (125 mg/m3); ACGIH TLV: TWA for mixed
isomers 25 ppm (adopted). | | Stability: | Stable. Flammable. Incompatible with strong oxidizing agents. | | LogP | 3.660 | | CAS DataBase Reference | 526-73-8(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 1,2,3-trimethyl-(526-73-8) | | EPA Substance Registry System | 1,2,3-Trimethylbenzene (526-73-8) |
| | 1,2,3-Trimethylbenzene Usage And Synthesis |
| Chemical Properties | Trimethylbenzenes exists in three isomeric
forms. All isomers are clear, colorless liquids with a distinctive,
aromatic odor. | | Chemical Properties | colourless liquid | | Physical properties | Clear, colorless, flammable liquid with an aromatic odor similar to propylbenzene, ethylbenzenes,
or xylenes. | | Uses | Raw material for chemical synthesis. | | Definition | ChEBI: 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 | | Hazard | Combustible. Central nervous system
impairment, asthma, and hematologic effects. | | Safety Profile | Mildly 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. | | Source | Detected 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 fate | Photolytic. 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). | | Shipping | UN3295 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: | | Incompatibilities | Vapors 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 Disposal | Dissolve 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. |
| | 1,2,3-Trimethylbenzene Preparation Products And Raw materials |
|
