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1,3-Dimethylbenzene

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Name

1,3-Dimethylbenzene

EINECS 203-576-3
CAS No. 108-38-3 Density 0.87 g/cm3
Solubility Insoluble in water, soluble in alcohol and ether Melting Point -48 °C
Formula C8H10 Boiling Point 140.567 °C at 760 mmHg
Molecular Weight 106.17 Flash Point 25 °C
Transport Information UN 1307 3/PG 3 Appearance Colorless transparent liquid
Safety 25-45-36/37-16-7 Risk Codes 10-20/21-38-39/23/24/25-23/24/25-11-36/38
Molecular Structure Molecular Structure of 108-38-3 (1,3-Dimethylbenzene) Hazard Symbols HarmfulXn,ToxicT,FlammableF
Synonyms

m-Xylene(8CI);1,3-Xylene;3-Methyltoluene;NSC 61769;m-Dimethylbenzene;m-Methyltoluene;m-xylol;M-Xylene;1,3-Dimethylbenzene;

 

1,3-Dimethylbenzene Chemical Properties

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1,3-Dimethylbenzene Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory.

1,3-Dimethylbenzene Standards and Recommendations

OSHA PEL: TWA 100 ppm; STEL 150 ppm
ACGIH TLV: TWA 100 ppm; STEL 150 ppm; BEI: methyl hippuric acids in urine at end of shift 1.5 g/g creatinine; Not Classifiable as a Human Carcinogen
NIOSH REL: (Xylene) TWA 100 ppm; CL 200 ppm/10M
DOT Classification:  3; Label: Flammable Liquid

1,3-Dimethylbenzene Specification

The 1,3-Dimethylbenzene with CAS registry number of 108-38-3 is also known as 1,3-Dimethylbenzene. The IUPAC name is 1,3-Xylene. It belongs to product categories of Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC). Its EINECS registry number is 203-576-3. In addition, the formula is C8H10 and the molecular weight is 106.17. This chemical is a colorless transparent liquid and should be stored in cool, dry room away from fire and oxidizing agents.

Physical properties about 1,3-Dimethylbenzene are:
 (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.271; (3)ACD/LogD (pH 7.4): 3.271; (4)ACD/BCF (pH 5.5): 180.187; (5)ACD/BCF (pH 7.4): 180.187; (6)ACD/KOC (pH 5.5): 1433.027; (7)ACD/KOC (pH 7.4): 1433.027; (8)Index of Refraction: 1.5; (9)Molar Refractivity: 35.903 cm3; (10)Molar Volume: 121.984 cm3; (11)Polarizability: 14.233×10-24cm3; (12)Surface Tension: 28.791 dyne/cm; (13)Density: 0.87 g/cm3; (14)Flash Point: 25 °C; (15)Enthalpy of Vaporization: 35.66 kJ/mol; (16)Boiling Point: 140.567 °C at 760 mmHg; (17)Vapour Pressure: 7.613 mmHg at 25 °C.

Preparation of 1,3-Dimethylbenzene :
 It can be prepared by sulfonated hydrolysis. Firstly, mixed xylene is distillated. Then the fraction of 130-140 °C is collected and sulfonated with sulfuric acid at the temperature of 80-90 °C for 3.5 hours. At last, the product is obtained by collecting fraction of 140-150 °C after hydrolysis and distillation.

Uses of 1,3-Dimethylbenzene :
 It can be used for the production of isophthalic acid, methyl benzoate, isophthaloyl nitrile, and also can be used as raw material of pharmaceutical, dye, spice and color film purity. It is used to produce 2,4,4'-trimethyl-benzophenone by reaction with 4-methyl-benzoyl chloride. The reaction needs reagent AlCl3 and solvent CH2Cl2. The yield is about 66%.
1,3-Dimethylbenzene  is used to produce 2,4,4'-trimethyl-benzophenone by reaction with 4-methyl-benzoyl chloride.

Safety Information of 1,3-Dimethylbenzene:
When you are using 1,3-Dimethylbenzene, please be cautious about it. As a chemical, it is irritating to eyes and skin. It has danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. Besides, it is highly flammable. During using it, wear suitable protective clothing and gloves. Keep container tightly closed and away from sources of ignition. Avoid contact with eyes. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC(=CC=C1)C
2. InChI: InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
3. InChIKey: IVSZLXZYQVIEFR-UHFFFAOYSA-N

The toxicity data of 1,3-Dimethylbenzene is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo intraperitoneal 2gm/kg (2000mg/kg)   Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.
mammal (species unspecified) LDLo subcutaneous 5gm/kg (5000mg/kg)   Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.
man TCLo inhalation 424mg/m3/6H/6 (424mg/m3) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Toxicology Letters. Vol. 1000(Sp,
man TCLo inhalation 870mg/m3/4H-I (870mg/m3) BEHAVIORAL: ATAXIA

BEHAVIORAL: IRRITABILITY
Archives of Toxicology, Supplement. Vol. 7, Pg. 412, 1984.
mouse LCLo inhalation 2010ppm/24H (2010ppm)   Journal of Pathology and Bacteriology. Vol. 46, Pg. 95, 1938.
mouse LD50 intraperitoneal 2003uL/kg (2.003mL/kg)   Archives of Toxicology. Vol. 58, Pg. 106, 1985.
rabbit LD50 skin 14100uL/kg (14.1mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 8000ppm/4H (8000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 883, 1980.

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