ChemicalBook > CAS DataBase List > 1,2,3-Trimethylbenzene

1,2,3-Trimethylbenzene

CAS No.526-73-8
Chemical Name:1,2,3-Trimethylbenzene
CBNumber:CB6853732
Molecular Formula:C9H12
Formula Weight:120.19
MOL File:526-73-8.mol

1,2,3-Trimethylbenzene Property

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.)
Flash point 119 °F
solubility Soluble in acetone, alcohol, benzene, and ether (Weast, 1986)
pka >14 (Schwarzenbach et al., 1993)
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).
Dielectric constant 2.6600000000000001
Stability Stable. Flammable. Incompatible with strong oxidizing agents.
LogP 3.660
CAS DataBase Reference 526-73-8(CAS DataBase Reference)
FDA UNII ZK4R7UPH6R
NIST Chemistry Reference Benzene, 1,2,3-trimethyl-(526-73-8)
EPA Substance Registry System 1,2,3-Trimethylbenzene (526-73-8)
UNSPSC Code 41116107
NACRES NA.24

Safety

Hazard Codes :Xi
Risk Statements :10-37-36/37/38
Safety Statements :16-26
RIDADR :UN 3295 3/PG 3
OEB :A
OEL :TWA: 25 ppm (125 mg/m3)
WGK Germany :3
RTECS :DC3300000
Autoignition Temperature :878 °F
HazardClass :3.2
PackingGroup :III
HS Code :2902900000
Hazardous Substances Data :526-73-8(Hazardous Substances Data)

NFPA 704:

	2
1		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H226-H315-H319-H335
Precautionary statements P210-P302+P352-P305+P351+P338

1,2,3-Trimethylbenzene Price More Price(5)

Brand: Sigma-Aldrich(India)
Product number: T73202
Product name : 1,2,3-Trimethylbenzene
Purity:
Packaging: 5ML
Price: ₹3257.18
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: T73202
Product name : 1,2,3-Trimethylbenzene
Purity:
Packaging: 50ML
Price: ₹13008.15
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 45935
Product name : 1,2,3-Trimethylbenzene
Purity: analytical standard
Packaging: 250MG
Price: ₹4459.35
Updated: 2022/06/14
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Brand: TCI Chemicals (India)
Product number: T0468
Product name : 1,2,3-Trimethylbenzene
Purity: min. 80.0 %
Packaging: 5ML
Price: ₹3100
Updated: 2022/05/26
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Brand: TCI Chemicals (India)
Product number: T0468
Product name : 1,2,3-Trimethylbenzene
Purity: min. 80.0 %
Packaging: 25ML
Price: ₹6600
Updated: 2022/05/26
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1,2,3-Trimethylbenzene Chemical Properties,Usage,Production

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.
Toxics Screening Level The acute initial threshold screening level (ITSL) for all trimethylbenzene (TMB) isomers combined is 1200 μg/m3 with 8-hr averaging time.
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.