MX - 3,5-Xylenol - Lijie Bio

1. Product Information

Product Name 3,5-Dimethylphenol

Common Name/Synonym MX / 3,5-Xylenol

IUPAC Name 3,5-Dimethylphenol

Synonyms 3,5-Xylenol; m-Xylenol

Molecular Formula C₈H₁₀O

Molecular Weight 122.16 g/mol

CAS Number 108-68-9

EC Number 203-607-0

2. Product Characteristics

Property	Specification
Appearance	White to pale yellow needle-like crystals or solid with characteristic phenolic odor
Chemical Properties	Important organic synthesis intermediate; hydroxyl group undergoes nucleophilic substitution to form esters, ethers, and amides
Solubility	Slightly soluble in water (5 g/L at 25°C); readily soluble in alcohols, ethers, acetone, and alkaline solutions
Stability	Stable at ambient temperature; volatile; store sealed and protected from light
Reactivity	Capable of chlorination, amination, and alkylation reactions; key raw material for high-value-added derivatives

Physical & Chemical Data:

Boiling Point: 219.5°C (760 mmHg) / 222°C
Melting Point: 62-66°C (64°C)
Flash Point: 80°C
Vapor Pressure (25°C): 0.05 hPa
pKa: 10.19 (25°C)
Log Kow: 2.35

3. Quality Specifications

Parameter	Specification	Test Method
Appearance	White to pale yellow needle-like crystals or solid	Visual
Odor	Characteristic phenolic odor	Organoleptic
Purity (GC)	≥99.0% (Premium) / ≥98.5% (Technical)	GC
Melting Range	62°C - 66°C (63-65°C)	Capillary Method
Moisture (Karl Fischer)	≤0.2%	KF Titration
Residue on Ignition	≤0.1%	Gravimetric
Other Phenolic Impurities	≤1.0% (other xylenols)	GC
m-Cresol	≤0.1%	GC
Iron (Fe)	≤80 ppm	AAS
Solution Clarity	Clear and transparent	Visual
Identification	IR spectrum matches reference standard	FTIR

Note: Premium grade meets stricter specifications than technical grade. Custom specifications available upon request.

4. Antimicrobial Activity (MIC Values)

Microorganism	MIC (mg/L)	Microorganism	MIC (mg/L)
Escherichia coli	500	Staphylococcus aureus	1000
Aspergillus niger	500	Chaetomium globosum	500
Penicillium sp.	500	-	-

Note: 3,5-Xylenol exhibits antimicrobial activity against common microorganisms but is less potent than PCMX and DCMX. Primarily used as a synthesis intermediate rather than a terminal biocide.

5. Applications

5.1 Pesticides & Insecticides

Methomyl intermediate: Key raw material for carbamate insecticide methomyl
Methiocarb intermediate: Precursor for 4-methylthio-3,5-dimethylphenol via chlorination and methylthiolation; used in methiocarb production

5.2 Pharmaceutical Intermediates

PCMX/DCMX precursor: Chlorination yields 4-chloro-3,5-dimethylphenol (PCMX) and 2,4-dichloro-3,5-dimethylphenol (DCMX) for high-performance disinfectants and preservatives
2,3,5-Trimethylphenol: Alkylation with methanol produces trimethylphenol for pharmaceutical synthesis
3,5-Xylidine: Amination produces xylidine for advanced dye synthesis

5.3 Industrial Chemicals

Rubber Industry: Rubber accelerators, antioxidants, and anti-aging agents
Coatings & Inks: Advanced printing inks, coatings, and phenolic resin synthesis
Plastics & Plasticizers: DBP plasticizer, Bakelite (phenolic resin), and engineering plastics monomers
Lubricant Additives: Additives for cold rolling oils and non-toxic flame-resistant turbine oils; significantly extends service life

5.4 Personal Care & Fragrances

Antioxidants: Formulations for industrial and personal care applications
Fragrance Synthesis: Precursor for specific fragrance compounds
Disinfectants: Moderate antimicrobial activity at low concentrations for general sanitation

5.5 Other Applications

Explosives: Component in certain explosive formulations
Dyes: Intermediate for advanced dye synthesis
GC Standard: Reference material for simultaneous determination of phenol, cresols, and xylenol isomers

6. Safety & Toxicity Data

Endpoint	Value
Acute Oral LD₅₀ (Rat)	608 mg/kg (Toxic)
Acute Oral LD₅₀ (Mouse)	477 mg/kg
Acute IP LD₅₀ (Mouse)	156 mg/kg
Acute Oral LD₅₀ (Rabbit)	1313 mg/kg
Skin Irritation	Corrosive; protective measures required
Eye Irritation	Severe eye irritant
Aquatic Toxicity	Harmful to aquatic organisms
Hazard Classification	Toxic substance; corrosive

Safety Precautions:

Appropriate protective measures must be taken during production and handling to avoid direct skin and eye contact
Store in a cool, ventilated area away from strong acids, strong bases, and strong oxidizers
Personnel must wear protective gloves, safety goggles, and respirators

7. Packaging & Storage

Packaging: 200kg/iron drum; 25kg/fiber drum (PE-lined); customized packaging available

Storage: Cool, dry place (≤25°C); sealed, protected from light; away from ignition sources, strong acids, strong bases, and oxidizers

Shelf Life: 24 months from production date; product may be used after retest if stored beyond expiry

Transport: Handle as hazardous chemical; load/unload carefully to prevent package damage

8. Key Advantages

Core Intermediate Status: Essential raw material for high-value products including PCMX, DCMX, and methomyl; critical position in supply chain
Wide Applications: Covers pesticides, pharmaceuticals, rubber, coatings, lubricants, and other industrial sectors
Mature Technology: Stable rectification and sulfonation-alkali fusion processes with abundant raw material supply
High Derivative Value: Versatile precursor for high-value products via chlorination, amination, and alkylation
Functional Additive: As additive for cold rolling oils and turbine oils, significantly extends equipment service life