1,2,4-TRIMETHYL BENZENE

Names

[ CAS No. ]:
95-63-6

[ Name ]:
1,2,4-TRIMETHYL BENZENE

[Synonym ]:
EINECS 202-436-9
1,2,4-Trimethylbenzene
1,2,4-trimethyl benzene
MFCD00008527
Pseudoaspidinol-iB
pseudo-cymene
Pseudocumol
pseudocumene

Chemical & Physical Properties

[ Density]:
0.88

[ Boiling Point ]:
168 °C(lit.)

[ Melting Point ]:
-44 °C

[ Molecular Formula ]:
C₉H₁₂

[ Molecular Weight ]:
120.19200

[ Flash Point ]:
120 °F

[ Exact Mass ]:
120.09400

[ LogP ]:
2.61180

[ Vapour density ]:
4.1 (vs air)

[ Vapour Pressure ]:
4.5 mm Hg ( 37.7 °C)

[ Index of Refraction ]:
n20/D 1.504(lit.)

[ Stability ]:
Stable. Incompatible with strong oxidizing agents. Flammable. May form explosive mixtures with air.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DC3325000

CHEMICAL NAME :: Benzene, 1,2,4-trimethyl-

CAS REGISTRY NUMBER :: 95-63-6

LAST UPDATED :: 199710

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C9-H12

MOLECULAR WEIGHT :: 120.21

WISWESSER LINE NOTATION :: 1R B1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,34,1986

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 18 gm/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(5),15,1979

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1752 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,1258,1989

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 1788 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/kg/4W-I

TOXIC EFFECTS :: Related to Chronic Data - death

REFERENCE :: TIHEEC Toxicology and Industrial Health. (Princeton Scientific Pub. Co., POB 2155, Princeton, NJ 08540) V.1- 1985- Volume(issue)/page/year: 1(3),67,1985

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6400 mg/kg/8W-I

TOXIC EFFECTS :: Peripheral Nerve and Sensation - recording from afferent nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 13,123,1993

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20 mg/m3/24H/17W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes in urine composition Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - catalases

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(5),15,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - B0044 No. of Facilities: 33 (estimated) No. of Industries: 2 No. of Occupations: 13 No. of Employees: 3186 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - B0044 No. of Facilities: 3684 (estimated) No. of Industries: 47 No. of Occupations: 42 No. of Employees: 65953 (estimated) No. of Female Employees: 9768 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H304-H315-H319-H332-H335-H411

[ Precautionary Statements ]:
P261-P273-P301 + P310-P305 + P351 + P338-P331

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R10;R20;R36/37/38;R51/53

[ Safety Phrases ]:
S26-S61-S45-S36/37-S16-S7

[ RIDADR ]:
UN 3295 3/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
DC3325000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,4-dimethylbenzyl chloride
2,4-dimethylbenzaldehyde
Propyne
Carbon tetrachloride
Methyl bromide
benzene
bis-(2,4-dimethyl-phenyl)methane
2,5-Dimethylbenzylchloride
1,1,2,5-tetramethylcyclohexane

DownStream

2,4,5-TRIMETHYLBENZYL CHLORIDE
1-(chloromethyl)-2,3,5-trimethylbenzene
2-(chloromethyl)-1,3,4-trimethylbenzene
2,4,6-Trimethylphenol
2,4,5-TRIMETHYLPHENOL
2,3,6-Trimethylphenol
2,3,5-Trimethylphenol
trimethyl-p-benzoquinone
o-xylene
p-Xylene

Articles

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Developmental toxicity of two trimethylbenzene isomers, mesitylene and pseudocumene, in rats following inhalation exposure.

Food Chem. Toxicol. 43(7) , 1055-63, (2005)

The developmental toxicity of two trimethylbenzene isomers, mesitylene (1,3,5-trimethylbenzene) and pseudocumene (1,2,4-trimethylbenzene) was studied in Sprague-Dawley rats following inhalation exposu...

Kinetics and mechanism of the reaction of OH with the trimethylbenzenes--experimental evidence for the formation of adduct isomers.

Phys. Chem. Chem. Phys. 14(40) , 13933-48, (2012)

The reversible gas-phase addition of OH radicals to the trimethylbenzenes was investigated in pulsed experiments utilizing VUV flash-photolysis resonance-fluorescence of H(2)O in the temperature range...

1,2,4-trimethyl benzene
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1,2,4-trimethyl-5-nitrosobenzene
1,2,4-trimethyl-5-(trichloromethyl)benzene
1,2,4-trimethyl-5-(2,3,5-trimethylphenyl)benzene
epi-isochromophilone II
2,3-Dihydro-1-(2-oxo-2-phenylethyl)-1H-indene-1-carboxylic acid
Amino-methoxy-benzothiazolecarboxylic acid ethyl ester
(E)-3-phenyl-4-methyl-2-pentenol
2-Hydroxy-1-methyl-1-phenylguanidine
(1R,2R)-3-Amino-1,2-diphenyl-propan-1-ol; hydrochloride
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-[2-(4-ethyl-1-piperazinyl)ethoxy]-6-methoxy-3-quinolinecarbonitrile
2-Methoxy-5,6,7,8-tetrahydroquinoline
7-Methylquinoline-3,4-diamine
Ethyl (3,5-di-t-butyl-4-hydroxyphenyl)-acetate

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