Quick Search
1,2,4-Trimethylbenzene is also used as a sterilizing agent and in the manufacture of dyes, perfumes, and resins.
1,2,4-Trimethylbenzene is used as a safe solvent for the production of H2O2 (hydrogen peroxide).
1,2,4-Trimethylbenzene is used mainly as raw material for the production of trimellitic anhydride, pyromellitic dianhydride.
CAS Number: 95-63-6
EC Number: 202-436-9
Molecular Formula: C₉H₁₂
Molecular Weight: 120.19 g/mol
SYNONYMS:
1,2,4-Trimethylbenzene, Pseudocumene, Asymmetrical trimethylbenzene, Ψ-Cumene, 1,2,4-TRIMETHYLBENZENE, Pseudocumene, 95-63-6, Pseudocumol, Psi-cumene, as-Trimethylbenzene, 1,3,4-Trimethylbenzene, Benzene, 1,2,4-trimethyl-, 1,2,5-Trimethylbenzene, Uns-trimethylbenzene, Asymmetrical trimethylbenzene, 1,2,4-trimethyl-benzene, Benzene, 1,2,5-trimethyl-, DTXSID6021402, METHYL-P-XYLENE, NSC-65600, 34X0W8052F, DTXCID701402, CHEBI:34039, Assymetrical trimethylbenzene, PSICUMENE, RefChem:71555, 202-436-9, .psi.-Cumene, pseudo-cumene, 1,2,4-Trimethyl benzene, NSC 65600, MFCD00008527, CAS-95-63-6, 1,2,4-Trimethylbenzene, analytical standard, HSDB 5293, EINECS 202-436-9, pseudo cumene, AI3-03976, CCRIS 8146, UNII-34X0W8052F, 1,4-Trimethylbenzene, PSUEDO-CUMENE, laquo Psiraquo -Cumene, Benzene,2,4-trimethyl-, PSEUDOCUMENE [MI], 1,2,5-trimethyl-benzene, 1,2, 4-Trimethylbenzene, EC 202-436-9, SCHEMBL40588, SCHEMBL60541, SCHEMBL95598, BIDD:ER0682, SCHEMBL162868, SCHEMBL297382, SCHEMBL316111, SCHEMBL394363, SCHEMBL394583, SCHEMBL1932887, SCHEMBL1932890, SCHEMBL2098321, SCHEMBL2098323, SCHEMBL3929688, SCHEMBL3929691, SCHEMBL7664186, SCHEMBL8856918, CHEMBL1797280, SCHEMBL10422356, SCHEMBL29365203, WLN: 1R B1 D1, 1,2,4-Trimethylbenzene solution, 1,2,4-Trimethylbenzene, 98%, 21 - VOCs (Perkin Elmer tubes), NSC65600, TRIMETHYLBENZENE, 1,2,4-, Tox21_200518, Tox21_300049, EBC-80263, SBB060396, 06C - Benzene, Toluene and Xylenes, AKOS000120059, MSK9073-1000M, 1,2,4-Trimethylbenzene (pseudocumene), 1,2,4-TRIMETHYLBENZENE [HSDB], NCGC00247891-01, NCGC00247891-02, NCGC00254118-01, NCGC00258072-01, PS-11947, 1,2,4-Trimethylbenzene (ACD/Name 4.0), NS00006467, S0662, ST51046585, EN300-20076, G92359, Q376994, 1,2,4-Trimethylbenzene 100 microg/mL in Methanol, F0001-2275, Z104476700, 1,2,4-Trimethylbenzene Solution in Methanol, 1000ug/mL, 1,2,4-Trimethylbenzene, certified reference material, TraceCERT(R), InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H, 95-36-3, XBZ, 1,2,4-Trimethylbenzene, Pseudocumene, Pseudocumol, Asymmetrical Trimethylbenzene, Asymmetric Trimethylbenzene, 1,2,4-TMB, ψ-Cumene, Hemimellitene, Pseudocumene, ψ-Cumene; as-Trimethylbenzene; Pseudocumene; Pseudocumol; 1,2,4-Trimethylbenzene; 1,2,5-Trimethylbenzene; 1,3,4-Trimethylbenzene; Psi-cumene; Asymmetrical trimethylbenzene; Benzene, 1,2,5-trimethyl-; NSC 65600; 1,2,4-trimethylbenzene (pseudocumene), Pseudocumene, Asymmetrical trimethylbenzene, psi-cumene, 1,2,4-TMB, trimethylbenzene, TRIMETHYLBENZENE;PSC;pseudo;1,2,4-trimethylbenzene (pseudocumene);PSEUDOCUMENE;1,2,4-trimethyl-benzen;PSI-CUMENE;PSEUDOCUMOL;1,2,5-Trimethylbenzene;1,3,4-TRIMETHYLBENZENE, 1,2,4-trimethylbenzene uns-trimethylbenzene pseudocumol asymmetrical trimethylbenzene as-trimethylbenzene trimethylbenzene, benzene, 1,2,4-trimethyl-, pseudocumol, methyl-p-xylene, methyl-para-xylene, 1,2,4-trimethyl benzene, 1,2,4-trimethyl-benzene, 1,2,4-trimethylbenzene, Benzene, 1,2,4-Trimethyl; 1,2,5-Trimethylbenzene; 1,3,4-Trimethylbenzene; 3,4-Dimethyltoluene; Methyl-p-Xylene; Pseudo-Cumene; Pseudocumene; Pseudocumol;, 1,2,4-trimethylbenzene (pseudocumene), 1,2,5-Trimethylbenzene, 1,3,4-Trimethylbenzene, AS-TRIMETHYBENZENE, Asymmetrical trimethylbenzene, Benzene, 1,2,5-trimethyl-, NSC 65600, Pseudocumol, Psi-cumene, as-Trimethylbenzene, benzene, 1,2,4-trimethyl-, pseudocumene, «psi»-Cumene, 1,3,4-TRIMETHYLBENZENE;1,2,4-TRIMETHYLBENZENE;PSI-CUMENE;1,2,4-trimethylbenzene(1,2,4-tmb);1,2,4-trimethylbenzene--benzene,1,2,4-trimethyl-;1,2,5-trimethyl-benzen;1,2,5-Trimethylbenzene;As-Trimethylbenzene, Asymmetrical trimethyl benzene, Pseudocumene, Pseudocumol, psi-Cumene, Trimethyl-1,2,4-benzene 1,2,5-Trimethylbenzene, as-Trimethylbenzene, Benzene, 1,2,4-trimethyl-, Benzene,1,2,4-trimethyl-,Methyl-p-xylene
1,2,4-Trimethylbenzene (mesitylene) is an aromatic hydrocarbon compound commonly present in commercial solvents encompassing their boiling range.
Mesitylene is the most common isomer used in commercial applications.
Aromatic hydrocarbons in hydrocarbon solvents are predominantly alkylated one ring structures as well as two aromatic ring structures which may also be alkylated.
1,2,4-Trimethylbenzene is a colourless liquid.
1,2,4-Trimethylbenzene is insoluble in water, soluble in ethanol, ether and benzene.
1,2,4-Trimethylbenzene is a colorless liquid with a slight aromatic odor.
1,2,4-Trimethylbenzene has a detection odor threshold concentration of 12 mg/m3 (2.4 ppmv), which was experimentally determined by Dravnieks (1974).
1,2,4-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 4.
1,2,4-Trimethylbenzene has a role as a neurotoxin.
1,2,4-Trimethylbenzene (mesitylene) is an aromatic hydrocarbon compound commonly present in commercial solvents encompassing their boiling range.
1,2,4-Trimethylbenzene is the most common isomer used in commercial applications.
Aromatic hydrocarbons in hydrocarbon solvents are predominantly alkylated one ring structures as well as two aromatic ring structures which may also be alkylated.
1,2,4-Trimethylbenzene is a colourless liquid.
1,2,4-Trimethylbenzene is insoluble in water, soluble in ethanol, ether and benzene.
1,2,4-Trimethylbenzene is the unlabelled version of 1,2,4-Trimethyl 13C6-benzene (T796173), a labelled aromatic standard.
1,2,4-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 4.
1,2,4-Trimethylbenzene has a role as a neurotoxin.
1,2,4-Trimethylbenzene, also known as pseudocumene or asymmetrical trimethylbenzene, is an aromatic organic compound and is a synthetic precursor to mellitic anhydride and can be used as a sterilizing agent.
1,2,4-Trimethylbenzene, also known as pseudocumene, is an organic compound with the chemical formula C6H3(CH3)3.
Classified as an aromatic hydrocarbon, 1,2,4-Trimethylbenzene is a colorless liquid with a strong odor.
1,2,4-Trimethylbenzene is nearly insoluble in water but soluble in organic solvents.
1,2,4-Trimethylbenzene occurs naturally in coal tar and petroleum (about 3%).
1,2,4-Trimethylbenzene is one of the three isomers of trimethylbenzene.
1,2,4-Trimethylbenzene is a precursor to trimellitic anhydride, from which high performance polymers are made.
1,2,4-Trimethylbenzene is also used as a sterilizing agent and in the making of dyes, perfumes and resins.
Another use of 1,2,4-Trimethylbenzene is as an antiknock agent, since its research and motor octane numbers are well above 100.
In automobile fuel, 1,2,4-Trimethylbenzene is a minor additive, with its share in US gasoline rising from 0.03%–0.5% in early 1990s to 1.1%–2.6% in 2011.
1,2,4-Trimethylbenzene may be a major component of some avgas formulations
1,2,4-trimethylbenzene appears as a liquid.
Flash point of 1,2,4-Trimethylbenzene is near 130 °F.
1,2,4-Trimethylbenzene is less dense than water and insoluble in water.
1,2,4-trimethylbenzene is a trimethylbenzene carrying methyl groups at positions 1, 2 and 4.
1,2,4-Trimethylbenzene has a role as a neurotoxin.
1,2,4-Trimethylbenzene is a colorless liquid with chemical formula C9H12.
1,2,4-Trimethylbenzene is a aromatic hydrocarbon with a strong odor.
1,2,4-Trimethylbenzene occurs naturally in coal tar and petroleum (about 3%).
1,2,4-Trimethylbenzene is nearly insoluble in water, but well-soluble in ethanol, diethyl ether, and benzene.
1,2,4-Trimethylbenzene, commonly known as pseudocumene, is an aromatic hydrocarbon belonging to the alkylbenzene family.
1,2,4-Trimethylbenzene occurs naturally in petroleum and coal tar and is also produced during petroleum refining and catalytic reforming processes.
Due to its excellent solvency, relatively high boiling point, and chemical stability, 1,2,4-Trimethylbenzene is widely used as an industrial solvent, chemical intermediate, and feedstock for the production of specialty chemicals, dyes, antioxidants, pharmaceuticals, and synthetic resins.
1,2,4-Trimethylbenzene is also an important component of commercial petroleum solvents and gasoline blends.
Because of its favorable physical properties and reactivity, 1,2,4-trimethylbenzene plays a significant role in numerous industrial manufacturing processes.
USES and APPLICATIONS of 1,2,4-TRIMETHYLBENZENE:
1,2,4-Trimethylbenzene is the unlabelled version of 1,2,4-Trimethyl 13C6-benzene (T796173), a labelled aromatic standard.
Uses of 1,2,4-Trimethylbenzene: Sterilizing catgut by heating one hour at 160°; solvent in manufacture of dyes, perfumes and resins.
Solvent for liquid scintillation counting solutions.
Uses of 1,2,4-Trimethylbenzene: Sterilizing catgut by heating one hour at 160°; solvent in manufacture of dyes, perfumes and resins.
1,2,4-Trimethylbenzene is used solvent for liquid scintillation counting solutions.
1,2,4-Trimethylbenzene (pseudocumene, CAS 95-63-6) is used as a medium-volatility aromatic solvent for alkyd, epoxy, and polyester resins in paints, varnishes, inks, and adhesives; as a gasoline reformate component that contributes to octane enhancement.
1,2,4-Trimethylbenzene is used as a feedstock for catalytic oxidation to trimellitic anhydride to produce trimellitate plasticizers, wire-enamel resins, heat-resistant coatings, and electrical insulation materials; as a scintillation solvent in liquid scintillator systems for particle-physics experiments; as a diluent/cleaning agent in industrial processing and laboratory workflows.
1,2,4-Trimethylbenzene is used as a synthetic intermediate for selected dyes, additives, and specialty chemicals, as well as a reference/internal standard for calibration and quality control in environmental analysis and GC/MS of aromatic hydrocarbons.
1,2,4-Trimethylbenzene is also used as a sterilizing agent and in the manufacture of dyes, perfumes, and resins.
1,2,4-Trimethylbenzene is used as a safe solvent for the production of H2O2 (hydrogen peroxide).
1,2,4-Trimethylbenzene is used mainly as raw material for the production of trimellitic anhydride, pyromellitic dianhydride.
1,2,4-Trimethylbenzene is extensively used as an industrial solvent because of its excellent ability to dissolve oils, waxes, greases, natural resins, synthetic polymers, and numerous organic compounds.
1,2,4-Trimethylbenzene is widely incorporated into paints, varnishes, lacquers, printing inks, adhesives, sealants, coatings, cleaning formulations, and industrial degreasing products where controlled evaporation and strong solvency are required.
1,2,4-Trimethylbenzene is an important chemical intermediate in the manufacture of trimellitic anhydride through catalytic oxidation.
Trimellitic anhydride is subsequently used in the production of high-performance plasticizers, polyester resins, epoxy curing agents, heat-resistant coatings, electrical insulating materials, and specialty polymers.
In the petrochemical industry, 1,2,4-trimethylbenzene is naturally present in petroleum fractions and gasoline, where it contributes to fuel octane characteristics.
1,2,4-Trimethylbenzene is also employed as a laboratory solvent, extraction solvent, analytical reference material, and reaction medium for organic synthesis.
1,2,4-Trimethylbenzene serves as a valuable raw material for producing dyes, pigments, antioxidants, pharmaceutical intermediates, agricultural chemicals, and fragrance ingredients.
Because of its combination of chemical stability, favorable boiling range, and excellent compatibility with numerous organic materials, 1,2,4-Trimethylbenzene remains an important building block throughout the chemical industry.
1,2,4-Trimethylbenzene is used in dyes and pharmaceuticals.
Scintillator: 1,2,4-Trimethylbenzene dissolved in mineral oil is used as a liquid scintillator in particle physics experiments such as NOνA and Borexino.
PROPERTIES of 1,2,4-TRIMETHYLBENZENE:
1,2,4-Trimethylbenzene is a stable aromatic hydrocarbon characterized by three methyl substituents attached to a benzene ring, giving it greater hydrophobicity and a higher boiling point than benzene or toluene.
Its molecular structure provides excellent solvency for numerous nonpolar organic substances, making 1,2,4-Trimethylbenzene useful in industrial cleaning, extraction, coatings, and chemical manufacturing.
1,2,4-Trimethylbenzene exhibits low viscosity, moderate volatility, and good thermal stability under normal processing conditions.
1,2,4-Trimethylbenzene is resistant to hydrolysis and remains chemically stable during long-term storage when protected from strong oxidizing agents.
Due to its relatively low water solubility and favorable partition coefficient, 1,2,4-Trimethylbenzene preferentially dissolves in organic phases, making it suitable for solvent extraction and formulation applications.
In chemical manufacturing, 1,2,4-trimethylbenzene serves as an important aromatic feedstock because its methyl substituents can undergo oxidation, alkylation, nitration, sulfonation, and halogenation reactions.
These reactions enable the production of numerous high-value intermediates used in pharmaceuticals, dyes, pigments, antioxidants, agrochemicals, fragrances, and specialty polymers.
BENEFITS of 1,2,4-TRIMETHYLBENZENE:
1,2,4-Trimethylbenzene offers several advantages in industrial and chemical applications:
Excellent solvency for oils, greases, waxes and resins
High chemical purity can be achieved
Good thermal and chemical stability
Suitable boiling point for controlled evaporation processes
Valuable intermediate for trimellitic anhydride production
Effective carrier solvent in coatings and inks
Compatible with numerous organic formulations
Good storage stability
Useful aromatic building block for specialty chemicals
Versatile feedstock for petrochemical manufacturing
Supports production of high-performance polymers and resins
Readily biodegradable under aerobic environmental conditions
CHARACTERISTICS of 1,2,4-TRIMETHYLBENZENE:
Aromatic hydrocarbon
Alkyl-substituted benzene derivative
Colorless, clear liquid
Sweet aromatic odor
Flammable liquid
Moderate volatility
Low viscosity
Excellent organic solvent
Slightly soluble in water
Miscible with many organic solvents
Chemically stable under normal conditions
Naturally present in petroleum
High industrial importance
Useful precursor for oxidation chemistry
Good compatibility with coatings and resin systems
OCCURRENCE/USE of 1,2,4-TRIMETHYLBENZENE:
1,2,4-Trimethylbenzene occurs naturally in coal tar and petroleum.
1,2,4-Trimethylbenzene is used as a sterilizing agent and in the manufacture of dyes, perfumes, and resins.
Gasoline additive
PRODUCTION of 1,2,4-TRIMETHYLBENZENE:
Industrially, 1,2,4-Trimethylbenzene is isolated from the C9 aromatic hydrocarbon fraction during petroleum distillation.
Approximately 40% of this fraction is 1,2,4-trimethylbenzene.
1,2,4-Trimethylbenzene is also generated by methylation of toluene and xylenes and the disproportionation of xylene over aluminosilicate catalysts.
HISTORY of 1,2,4-TRIMETHYLBENZENE:
In 1849, Charles Blachford Mansfield rectified coal tar and identified fractions which he hypothesized to be cumole and cymole.
The latter fraction boiled slightly above 170 °C (338 °F) and had specific density of 0.857.
In 1862, Warren De la Rue and Hugo Müller (1833-1915) proposed the term pseudocumole for the fractions heavier than xylole.
When three years later American chemist Cyrus Warren (1824-1891) attempted to reproduce Mansfield's results, he determined that the oil boiling at 170 °C (338 °F) has the same formula as cumole, not cymole, and suggested to name it isocumole.
The structure of the compound was determined by Th. Ernst and Wilhelm Rudolph Fittig, who first prepared it from bromoxylene and iodomethane in 1866 by a Wurtz–Fittig reaction developed two years earlier.
In the next year, Fittig et al. adopted the pseudocumol terminology,
in 1869 Fittig and B. Wackenroder proved that the fraction is a mixture of mesitylene with another trimethylbenzene, for which the name of pseudocumol was retained, and in 1886 Oscar Jacobsen [de] showed that the third 1,2,4-Trimethylbenzene he discovered earlier is also present.
PHYSICAL and CHEMICAL PROPERTIES of 1,2,4-TRIMETHYLBENZENE:
Appearance: Clear, colorless liquid
Odor: Sweet aromatic, gasoline-like odor
Physical State: Liquid at room temperature
Molecular Formula: C₉H₁₂
Molecular Weight: 120.19 g/mol
Density: Approximately 0.875–0.880 g/cm³ (20°C)
Melting Point: Approximately −43.8°C
Boiling Point: Approximately 169°C
Flash Point: Approximately 44–50°C (closed cup)
Autoignition Temperature: Approximately 480°C
Vapor Pressure: Approximately 2–3 hPa (20°C)
Vapor Density: Approximately 4.1 (air = 1)
Relative Density: Approximately 0.88
Refractive Index: Approximately 1.504
Water Solubility: Very slightly soluble (approximately 50–60 mg/L at 25°C)
Solubility: Miscible with most organic solvents including ethanol, ether, acetone, benzene, toluene and hydrocarbons
Log Kow: Approximately 3.6–3.7
Octanol/Water Partition Coefficient: Indicates moderate lipophilicity
Evaporation Rate: Moderate
Viscosity: Low
Surface Tension: Approximately 28–29 mN/m
Dynamic Viscosity: Approximately 0.7 mPa·s (25°C)
Chemical Stability: Stable under normal storage conditions
Reactivity: Reacts with strong oxidizing agents
Flammability: Flammable liquid and vapor
Explosion Limits in Air: Approximately 0.9–6.5%
Decomposition Products: Carbon monoxide, carbon dioxide and irritating smoke during combustion
Biodegradability: Readily biodegradable under aerobic conditions
Environmental Mobility: Moderate; volatilizes from soil and water
Bioaccumulation Potential: Low to moderate
Chemical formula: C9H12
Molar mass: 120.195 g·mol−1
Appearance: Colorless liquid
Density: 0.8758 g/cm3 (20 °C (68 °F))
Melting point: −43.8 °C (−46.8 °F; 229.3 K)
Boiling point: 169.4 °C (336.9 °F; 442.5 K)
Critical point (T, P): 649.1 K at 3.3 MPa
Solubility in water: 0.057 g/L
log P: 3.63
Vapor pressure: 2.3 hPa (20 °C (68 °F))
Magnetic susceptibility (χ): −101.6×10−6 cm3/mol
Refractive index (nD): 1.5048 (20 °C (68 °F))
Thermochemistry:
Enthalpy of fusion (ΔfH⦵fus): 13.19 kJ⋅mol−1
Enthalpy of vaporization (ΔfHvap): 47.93 kJ⋅mol−1 (25 °C (77 °F))
Molecular Weight: 120.19 g/mol
XLogP3-AA: 3
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Rotatable Bond Count: 0
Exact Mass: 120.093900383 Da
Monoisotopic Mass: 120.093900383 Da
Topological Polar Surface Area: 0 Ų
Heavy Atom Count: 9
Formal Charge: 0
Complexity: 86
Isotope Atom Count: 0
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Chemical Name: 1,2,4-Trimethylbenzene
Common Name: Pseudocumene
CAS Number: 95-63-6
EC Number: 202-436-9
Molecular Formula: C₉H₁₂
Molecular Weight: 120.19 g/mol
Linear Formula: C6H3(CH3)3
CAS Number: 95-63-6
Molecular Weight: 120.19
NACRES: NA.22
PubChem Substance ID: 24900445
eCl@ss: 39011403
UNSPSC Code: 12352100
EC Number: 202-436-9
MDL number: MFCD00008527
Beilstein/REAXYS Number: 1903005
Assay: 98%
Physical state: liquid
Colour: colourless
Odour: No data available
Melting point/ range: -43,7 °C
Boiling point/boiling range: 168 °C
Flammability: No data available
Upper explosion limit / Upper flammability limit: 6,4 %(V)
Lower explosion limit / Lower flammability limit: 0,9 %(V)
Flash point: 48,0 °C
Method: closed cup
Autoignition temperature: 515 °C
Decomposition temperature: No data available
pH: No data available
Viscosity, dynamic: No data available
Viscosity, kinematic: No data available
Flow time: No data available
Solubility(ies)
Water solubility: 0,057 g/l (25 °C)
slightly soluble
Partition coefficient: noctanol/water: No data available
Vapour pressure : 2,3 hPa (20,0 °C)
Relative density : No data available
Density : 0,88 g/cm3
Relative vapour density : No data available
Explosives : No data available
Oxidizing properties : No data available
Burning rate : No data available
Self-ignition : 515,0 °C
Evaporation rate : No data available
Molecular weight : 120,19 g/mol
CBNumber:CB0854702
Molecular Formula:C9H12
Molecular Weight:120.19
MDL Number:MFCD00008527
MOL File:95-63-6.mol
Melting point: -44 °C
Boiling point: 168 °C(lit.)
Density: 0.876 g/mL at 20 °C(lit.)
vapor density: 4.1 (vs air)
vapor pressure: 4.5 mm Hg ( 37.7 °C)
refractive index: n20/D 1.504(lit.)
Flash point: 120 °F
storage temp.: Store below +30°C.
solubility: 0.057g/l
form: Liquid
pka: >14 (Schwarzenbach et al., 1993)
color: Clear colorless
Odor: char. aromatic odor
Odor Threshold: 0.12ppm
explosive limit: 0.8-7%(V)
Water Solubility: Soluble in alcohol, benzene and ether. Slightly soluble in water
Specific Heat Capacity: Cp(liquid): 1.79 J/(g·K), at 25℃
Thermal Conductivity: 0.1354 W/(m·K) at 25 ℃
Merck: 14,7915
BRN: 1903005
Henry's Law Constant: 6.946, 11.202, and 15.702 at 27.0, 35.0, and 45.0 °C, respectively
Exposure limits: EU LTEL:20 ppm(100 mg/m3)
Dielectric constant: 2.4（16℃）
Stability: Stable. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions: SOLVENT
InChI: 1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChIKey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
SMILES: Cc1ccc(C)c(C)c1
LogP: 3.630
Surface tension: 29.3mN/m at 298.15K
CAS DataBase Reference: 95-63-6(CAS DataBase Reference)
EWG's Food Scores: 2
FDA UNII: 34X0W8052F
EPA Substance Registry System: 1,2,4-Trimethylbenzene (95-63-6)
UNSPSC Code: 41116107
NACRES: NA.24
CAS: 95-63-6
IUPAC Name: 1,2,4-trimethylbenzene
Molecular Formula: C9H12
InChI Key: GWHJZXXIDMPWGX-UHFFFAOYSA-N
SMILES: CC1=CC=C(C)C(C)=C1
Molecular Weight (g/mol): 120.20
Appearance (Color): Clear colorless
Form: Liquid
Assay (GC): ≥97.5%
ECHA EINECS - REACH Pre-Reg: 202-436-9
FDA UNII: 34X0W8052F
Nikkaji Web: J3.567J
Beilstein Number: 1903005
MDL: MFCD00008527
XlogP3-AA: 3.00 (est)
Molecular Weight: 120.19464000
Formula: C9 H12
Appearance: colorless liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.88900 @ 25.00 °C.
Boiling Point: 168.00 to 170.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.100000 mmHg @ 25.00 °C.
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
logP (o/w): 3.630
Soluble in: alcohol
water, 57 mg/L @ 25 °C (exp)
CAS Number: 95-63-6
Formula: C₉H₁₂
MDL Number: MFCD00008527
Molecular Weight: 120.19 g/mol
Merck Index: 12,08100
Boiling Pt: 168 °C (760 mmHg)
Melting Pt: –44 °C
Density: 0.88 g/cm³
Flash Pt: 48 °C
Storage Temperature: Ambient
EINECS: 202-436-9
UN: 1993
ADR: 3,III
Melting point: -44 °C
Boiling point: 168 °C(lit.)
density: 0.876 g/mL at 20 °C(lit.)
vapor density: 4.1 (vs air)
vapor pressure: 4.5 mm Hg ( 37.7 °C)
refractive index: n20/D 1.504(lit.)
Fp: 120 °F
storage temp.: Store below +30°C.
solubility: 0.057g/l
form: Liquid
pka: >14 (Schwarzenbach et al., 1993)
color: Clear colorless
Odor: char. aromatic odor
Odor Threshold: 0.12ppm
explosive limit: 0.8-7%(V)
Water Solubility: Soluble in alcohol, benzene and ether. Slightly soluble in water
Thermal Conductivity: 0.1354 W/(m·K) at 25 ℃
Specific Heat Capacity: Cp(liquid): 1.79 J/(g·K), at 25℃
Merck: 14,7915
BRN: 1903005
Henry's Law Constant: 6.946, 11.202, and 15.702 at 27.0, 35.0, and 45.0 °C, respectively
Exposure limits: EU LTEL:20 ppm(100 mg/m3)
Dielectric constant: 2.4（16℃）
Stability: Stable.
Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions: SOLVENT
InChI: 1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
InChIKey: GWHJZXXIDMPWGX-UHFFFAOYSA-N
SMILES: Cc1ccc(C)c(C)c1
LogP: 3.630
Surface tension: 29.3mN/m at 298.15K
CAS DataBase Reference: 95-63-6(CAS DataBase Reference)
EPA Substance Registry System: 1,2,4-Trimethylbenzene (95-63-6)
FIRST AID MEASURES of 1,2,4-TRIMETHYLBENZENE:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available
ACCIDENTAL RELEASE MEASURES of 1,2,4-TRIMETHYLBENZENE:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.
FIRE FIGHTING MEASURES of 1,2,4-TRIMETHYLBENZENE:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.
EXPOSURE CONTROLS/PERSONAL PROTECTION of 1,2,4-TRIMETHYLBENZENE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.
HANDLING and STORAGE of 1,2,4-TRIMETHYLBENZENE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.
STABILITY and REACTIVITY of 1,2,4-TRIMETHYLBENZENE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available
