526-73-8 Usage
Chemical Properties
Different sources of media describe the Chemical Properties of 526-73-8 differently. You can refer to the following data:
1. colourless liquid
2. Trimethylbenzenes exists in three isomeric
forms. All isomers are clear, colorless liquids with a distinctive,
aromatic odor.
Physical properties
Clear, colorless, flammable liquid with an aromatic odor similar to propylbenzene, ethylbenzenes,
or xylenes.
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/ja01867a017Organic 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.
Check Digit Verification of cas no
The CAS Registry Mumber 526-73-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,2 and 6 respectively; the second part has 2 digits, 7 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 526-73:
(5*5)+(4*2)+(3*6)+(2*7)+(1*3)=68
68 % 10 = 8
So 526-73-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3
526-73-8Relevant articles and documents
Probing the pore structure of hierarchical EU-1 zeolites by adsorption of large molecules and through catalytic reaction
Guo, Zaibin,Hao, Wenming,Ma, Jinghong,Li, Ruifeng
, p. 187 - 193 (2021)
The adsorption of toluene and 1,3,5-trimethylbenzene and the catalytic transformation of 1,3,5-trimethylbenzene are applied as probing approaches to characterize the pore system of hierarchical EU-1 zeolites prepared using organofunctionalized fumed silica as the silicon source. The adsorption and diffusion of toluene and 1,3,5-trimethylbenzene are significantly improved in the hierarchical EU-1 zeolites compared with the conventional microporous EU-1 zeolite. The adsorption kinetics of toluene and 1,3,5-trimethylbenzene suggested that introducing mesopores significantly increases the rate of adsorption and improved the diffusion of large molecules. In the catalytic transformation of 1,3,5-trimethylbenzene, the conversion of 1,3,5-trimethylbenzene on the hierarchical EU-1 zeolites is doubled compared with the conventional microporous EU-1 zeolite, due to the improved diffusion of bulky molecules and enhanced accessibility of active sites in the hierarchical EU-1 structure. Although isomerization is the main reaction, differences are observed in the product ratios of isomerization to disproportionation between the hierarchical EU-1 zeolites and the microporous counterpart with different times on stream. The transformation of 1,3,5-trimethylbenzene over the hierarchical EU-1 zeolites has a higher isomerization to disproportionation ratio than that over the microporous EU-1 zeolite; this is due to the increased mesoporosity.
PROCESS FOR CO-PRODUCTION OF MIXED XYLENES AND HIGH OCTANE C9+ AROMATICS
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Paragraph 0067-0072, (2019/10/23)
Disclosed is a process for producing mixed xylenes and C9+ hydrocarbons in which an aromatic hydrocarbon feedstock comprising benzene and/or toluene is contacted with an alkylating agent comprising methanol and/or dimethyl ether under alkylation conditions in the presence of an alkylation catalyst to produce an alkylated aromatic product stream comprising the mixed xylenes and C9+ hydrocarbons. The mixed xylenes are subsequently converted to para-xylene, and the C9+ hydrocarbons and its components may be supplied as motor fuels blending components. The alkylation catalyst comprises a molecular sieve having a Constraint Index in the range from greater than zero up to about 3. The molar ratio of aromatic hydrocarbon to alkylating agent is in the range of greater than 1:1 to less than 4:1.
TRI-(ADAMANTYL)PHOSPHINES AND APPLICATIONS THEREOF
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Page/Page column 31, (2017/05/17)
In one aspect, phosphine compounds comprising three adamantyl moieties (PAd3) and associated synthetic routes are described herein. Each adamantyl moiety may be the same or different. For example, each adamantyl moiety (Ad) attached to the phosphorus atom can be independently selected from the group consisting of adamantane, diamantane, triamantane and derivatives thereof. Transition metal complexes comprising PAd3 ligands are also provided for catalytic synthesis including catalytic cross-coupling reactions.
