CAS No.108-38-3,1,3-Dimethylbenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-38-3
Name:	1,3-Dimethylbenzene
Article Data:	486

Formula:	C₈H₁₀
Molecular Weight:	106.167
Synonyms:	m-Xylene(8CI);1,3-Xylene;3-Methyltoluene;NSC 61769;m-Dimethylbenzene;m-Methyltoluene;m-xylol;M-Xylene;1,3-Dimethylbenzene;
EINECS:	203-576-3
Density:	0.87 g/cm³
Melting Point:	-48 °C
Boiling Point:	140.567 °C at 760 mmHg
Flash Point:	25 °C
Solubility:	Insoluble in water, soluble in alcohol and ether
Appearance:	Colorless transparent liquid
Hazard Symbols:	Xn,T,F
Risk Codes:	10-20/21-38-39/23/24/25-23/24/25-11-36/38
Safety:	25-45-36/37-16-7
Transport Information:	UN 1307 3/PG 3
PSA:	0.00000
LogP:	2.30340

Synthetic route

: 132636-71-6
3-(3,5-Dimethyl-phenoxy)-benzo[d]isothiazole 1,1-dioxide

A: 108-38-3
m-xylene

B: 81-07-2
saccharin

Conditions

Conditions	Yield
With sodium hypophosphite; palladium on activated charcoal In water; benzene for 2.5h; Heating;	A 100% B n/a

: 620-19-9
1-chloromethyl-3-methyl-benzene

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With palladium dichloride In methanol at 40℃; for 1h; Green chemistry; chemoselective reaction;	99%
With Perbenzoic acid; tri-n-butyl-tin hydride In benzene at 90℃; for 12h; Mechanism; in the presence of α-chlorotoluene (competitor), relative reactivity;

: 587-03-1
3-methylbenzyl alcohol

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With palladium dichloride In methanol at 40℃; for 18h; Inert atmosphere; Green chemistry; chemoselective reaction;	99%
With 2,4,6-trimethyl-pyridine; 4,4'-dimethoxyphenyl disulfide; iridium(lll) bis[2-(2,4-difluorophenyl)-5-methylpyridine-N,C20]-4,40-di-tert-butyl-2,20-bipyridine hexafluorophosphate; triphenylphosphine In toluene for 24h; Irradiation;	68 %Chromat.

: 3101-50-6
1-methyl-3-methylene-cyclohexane

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With n-butyllithium; potassium 2-methylbutan-2-olate Mechanism; 1) r.t., 16 h, 2) reflux, 6 h; further reagent: D2O;	96%

: 100379-00-8
2,6-dimethylbenzene boronic acid

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With water at 20℃; for 48h;	96%
With potassium methanolate In methanol at 120℃; for 12h; Catalytic behavior; Solvent; Sealed tube; Green chemistry;	67 %Chromat.

: 499-06-9
3,5-dimethylbenzoic acid

: 1552-94-9, 28010-12-0, 28010-13-1, 38446-98-9, 54352-97-5
5-phenyl-2,4-pentadienoic acid

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With silver(I) acetate; potassium carbonate In N,N-dimethyl acetamide at 140℃;	94%

: 111-26-2
hexan-1-amine

: 556-96-7
5-bromo-1,3-xylene

A: 108-38-3
m-xylene

B: N-n-hexyl-3,5-dimethylbenzenamine

C: Bis-(3,5-dimethyl-phenyl)-hexyl-amine

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); sodium t-butanolate In toluene at 80℃; for 2h; Arylation;	A n/a B 88% C n/a
With 1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate In toluene at 80℃; for 3h; Arylation;

...Expand

: 4214-28-2
1-iodo-2,4-dimethylbenzene

: 108-38-3
m-xylene

Conditions

Conditions	Yield
With formaldehyd; palladium diacetate; caesium carbonate In dimethyl sulfoxide at 80℃; for 12h;	85%

: 7452-79-1
ethyl 2-methylbutyrate

: 201230-82-2
carbon monoxide

: 63509-96-6
2,6-xylyllithium

A: 91873-92-6
1-(2,6-Dimethyl-phenyl)-3-methyl-pentane-1,2-dione

B: 108-38-3
m-xylene

Conditions

Conditions	Yield
In tetrahydrofuran; Dimethyl ether at -135℃;	A 84% B 13%

...Expand

: 576-22-7
2-Bromo-m-xylene

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

A: 108-38-3
m-xylene

B: 2-(2,6-bismethylphenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane

Conditions

Conditions	Yield
With triethylamine; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 100℃; for 6h;	A n/a B 82%

...Expand

Raw Materials

17369-57-2

78-92-2

108-67-8

874-63-5

Downstream Products

81-20-9

100-80-1

87-62-7

150096-40-5

638-04-0

461-97-2

58983-20-3

108-69-0

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Chemistry

Consensus Reports

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

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

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.