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3,4-Xylenol is primarily used as an intermediate in the production of specialty chemicals, antioxidants, pharmaceuticals, agrochemicals, dyes, resins, and polymer additives.
3,4-Xylenol is widely used as an intermediate in the manufacture of specialty chemicals, antioxidants, pharmaceuticals, agrochemicals, dyes, pigments, synthetic resins, and polymer additives.
CAS Number: 95-65-8
EC Number: 202-444-9
Molecular Formula: C₈H₁₀O
Molecular Weight: 122.16 g/mol
SYNONYMS:
3,4-Dimethylphenol, 4-Hydroxy-o-xylene, 3,4-dimethyl phenol, 1,2-dimethyl-4-hydroxybenzene, 3,4-dimethyl-phenol, 3,4-dimethylbenzolol, 3,4-dimethylphenol, 3,4-DMP, 4-hydroxy-1,2-dimethyl benzene, 1-hydroxy-3,4-dimethyl benzene, 1-hydroxy-3,4-dimethylbenzene, 4-hydroxy-o-xylene, phenol, 3,4-dimethyl-, 1,3,4-xylenol, 3,4-Xylenol, 1-Hydroxy-3,4-dimethylbenzene, 1,3,4-Xylenol, 3,4-Dimethylphenol, 4-Hydroxy-1,2-dimethylbenzene, 4,5-Dimethylphenol, 1,2-Dimethyl-4-hydroxybenzene, 3,4-DMP, NSC 1549, 3,4-Dimethylphenol, 4-Hydroxy-o-xylene, 3,4-Xylenol, 3,4-Dimethylphenol, 3,4-DMP, 1-Hydroxy-3,4-dimethylbenzene, 3,4-Dimethylbenzene-1-ol, m,p-Xylenol, 3,4-Dimethylphenol, 4-Hydroxy-o-xylene
3,4-Xylenol is a chemical compound which is one of the six isomers of xylenol.
3,4-Xylenol brings a leathery, slightly phenolic character that adds depth and a natural, earthy nuance to our accords.
3,4-Xylenol's especially useful in creating robust wood, leather, and amber creations.
If you'd like to built your own oud accord from scratch, 3,4-Xylenol is a must.
3,4-Xylenol, also known as 3,4-dimethylphenol, is an alkyl-substituted phenolic compound belonging to the xylenol family (dimethylphenols).
3,4-Xylenol consists of a phenol ring bearing two methyl groups at the 3- and 4-positions, which enhance its hydrophobicity while preserving the reactivity of the phenolic hydroxyl group.
Owing to its aromatic structure and reactive hydroxyl functionality, 3,4-xylenol is an important building block in organic synthesis and is employed in the manufacture of high-value industrial products.
3,4-Xylenol, also known as 1,3,4-xylenol or 3,4-DMP, belongs to the class of organic compounds known as para cresols.
Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
3,4-Xylenol is a dry and flat tasting compound.
3,4-Xylenol has been detected, but not quantified, in coffee and coffee products and herbs and spices.
This could make 3,4-dimethylphenol a potential biomarker for the consumption of these foods.
3,4-Xylenol is a potentially toxic compound.
3,4-Xylenol belongs to the class of organic compounds known as para cresols.
Para cresols are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
3,4-Xylenol, 98% is a chemical compound which is one of the six isomers of xylenol.
USES and APPLICATIONS of 3,4-XYLENOL:
3,4-Xylenol is primarily used as an intermediate in the production of specialty chemicals, antioxidants, pharmaceuticals, agrochemicals, dyes, resins, and polymer additives.
3,4-Xylenol is widely used as an intermediate in the manufacture of specialty chemicals, antioxidants, pharmaceuticals, agrochemicals, dyes, pigments, synthetic resins, and polymer additives.
The phenolic hydroxyl group enables efficient functionalization, making 3,4-Xylenol an excellent starting material for producing complex aromatic derivatives.
3,4-Xylenol is utilized in the production of antioxidants that improve the oxidative stability of plastics, rubber, lubricants, fuels, and industrial fluids.
These antioxidants help inhibit degradation caused by heat, oxygen, and light, thereby extending product service life.
3,4-Xylenol is used as an anti-Infective agents.
3,4-Xylenol has wide applications in the analytical techniques such as Gas Chromatography, Reversed Phase Chromatography, HPLC and UHPLC.
In resin and polymer chemistry, 3,4-xylenol serves as a precursor for phenolic resins, epoxy resin modifiers, specialty coatings, adhesive systems, and other advanced polymer materials.
3,4-Xylenol also functions as a valuable building block in pharmaceutical and fine chemical synthesis, where controlled aromatic substitution reactions are required to prepare biologically active compounds and specialty intermediates.
Laboratory and research applications include 3,4-Xylenol's use as a reference material, analytical standard, and synthetic intermediate for developing new catalysts, reaction pathways, and aromatic derivatives.
3,4-Xylenol's combination of aromatic stability and reactive hydroxyl functionality makes it suitable for numerous industrial organic synthesis processes.
PROPERTIES of 3,4-XYLENOL:
3,4-Xylenol combines the weak acidity characteristic of phenolic compounds with the increased hydrophobicity provided by two methyl substituents.
The hydroxyl functional group readily participates in numerous organic reactions, including esterification, etherification, oxidation, and polymerization, while the methyl groups improve thermal stability and reduce water solubility compared with unsubstituted phenol.
3,4-Xylenol demonstrates excellent compatibility with a broad range of organic solvents and exhibits good stability under standard industrial storage conditions.
Its aromatic structure enables selective electrophilic substitution reactions, making 3,4-Xylenol an important intermediate for synthesizing numerous specialty chemicals.
The relatively high boiling point and low vapor pressure reduce evaporative losses during industrial processing, allowing improved handling and process efficiency.
Due to its balanced physical and chemical properties, 3,4-xylenol is widely employed in polymer chemistry, resin synthesis, and the manufacture of high-performance additives where controlled reactivity and stability are essential.
ALTERNATIVE PARENTS of 3,4-XYLENOL:
o-Xylenes
Meta cresols
1-hydroxy-2-unsubstituted benzenoids
Organooxygen compounds
Hydrocarbon derivatives
SUBSTITUENTS of 3,4-XYLENOL:
O-xylene
Xylene
P-cresol
M-cresol
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound
BENEFITS of 3,4-XYLENOL:
3,4-Xylenol offers several advantages in industrial and chemical applications:
Valuable intermediate for specialty chemical synthesis
Excellent precursor for antioxidant production
Suitable for phenolic resin manufacturing
Good thermal stability
Reactive phenolic hydroxyl group
Compatible with numerous organic solvents
Useful building block for pharmaceutical intermediates
Supports production of dyes and pigments
Good storage stability
Suitable for polymer modification
High-purity commercial grades available
Versatile aromatic intermediate for fine chemical manufacturing
CHARACTERISTICS of 3,4-XYLENOL:
Alkyl-substituted phenolic compound
Aromatic organic intermediate
White crystalline solid
Characteristic phenolic odor
Weakly acidic
Slightly soluble in water
Soluble in most organic solvents
Moderate lipophilicity
Good thermal stability
Reactive hydroxyl functional group
Undergoes oxidation and electrophilic substitution reactions
Combustible organic solid
Industrial specialty chemical
Important precursor for antioxidants, resins, and specialty chemicals
PHYSICAL and CHEMICAL PROPERTIES of 3,4-XYLENOL:
Appearance: White to off-white crystalline solid or colorless to pale yellow crystals
Odor: Characteristic phenolic odor
Physical State: Crystalline solid at room temperature
Molecular Formula: C₈H₁₀O
Molecular Weight: 122.16 g/mol
Density: Approximately 1.02–1.04 g/cm³ (20°C)
Melting Point: Approximately 64–67°C
Boiling Point: Approximately 225–227°C
Flash Point: Approximately 103–108°C (closed cup)
Autoignition Temperature: Approximately 520°C
Vapor Pressure: Very low at room temperature
Vapor Density: Approximately 4.2 (air = 1)
Relative Density: Approximately 1.03
Refractive Index (molten): Approximately 1.53
Water Solubility: Slightly soluble (approximately 4–6 g/L at 25°C)
Solubility: Soluble in ethanol, methanol, acetone, ether, benzene, toluene, chloroform, and many organic solvents
Log Kow: Approximately 2.5–2.7
Partition Coefficient: Moderately lipophilic
pKa: Approximately 10.3
Surface Tension: Moderate
Viscosity: Low in the molten state
Volatility: Low
Chemical Stability: Stable under normal storage conditions
Reactivity: Undergoes oxidation, etherification, esterification, halogenation, nitration, alkylation, and condensation reactions
Flammability: Combustible organic solid
Decomposition Products: Carbon monoxide, carbon dioxide, and irritating phenolic vapors during combustion
Oxidation Sensitivity: Slowly oxidizes and may discolor upon prolonged exposure to air and light
Biodegradability: Readily biodegradable under aerobic conditions
Environmental Mobility: Moderate
Bioaccumulation Potential: Low to moderate
Chemical Name: 3,4-Xylenol
IUPAC Name: 3,4-Dimethylphenol
Common Name: 3,4-Xylenol
CAS Number: 95-65-8
EC Number: 202-444-9
Molecular Formula: C₈H₁₀O
Molecular Weight: 122.16 g/mol
ECHA EINECS - REACH Pre-Reg: 202-439-5
FDA UNII: 4L479F5JU6
Nikkaji Web: J43.457D
Beilstein Number: 1099267
MDL: MFCD00002304
CoE Number: 11262
XlogP3: 2.20 (est)
Molecular Weight: 122.16690000
Formula: C8 H10 O
Appearance: dark orange crystals (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 64.00 to 68.00 °C. @ 760.00 mm Hg
Boiling Point: 227.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.053000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 2.230
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage: store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in: alcohol
water, 4668 mg/L @ 25 °C (est)
water, 4760 mg/L @ 25 °C (exp)
Insoluble in: water
Linear Formula: (CH3)2C6H3OH
CAS Number: 95-65-8
Molecular Weight: 122.16
FEMA Number: 3596
Council of Europe no.: 11262
UNSPSC Code: 12164502
PubChem Substance ID: 24901802
Flavis number: 4.048
EC Number: 202-439-5
NACRES: NA.21
MDL number: MFCD00002304
Beilstein/REAXYS Number: 1099267
Organoleptic: burnt
Grade: FG, Fragrance grade, Halal
Biological source: synthetic
Agency: follows IFRA guidelines, meets purity specifications of JECFA
Food allergen: no known allergens
Physical state: solid
Form: crystalline
Color: light brown, dark orange
Odor: No data available
Melting point/ range: 65 - 68 °C
Boiling point/boiling range: 227 °C
Method: lit.
Flammability: No data available
Upper explosion limit / Upper flammability limit: No data available
Lower explosion limit / Lower flammability limit: No data available
Flash point: 110 °C
Method: closed cup
Autoignition temperature: No data available
Decomposition temperature: No data available
pH: No data available
Viscosity, dynamic: No data available
Viscosity, kinematic: No data available
Flow time: No data available
Water solubility: No data available
Partition coefficient: noctanol/water: No data available
Vapor pressure: No data available
Relative density: No data available
Density: 0,983 g/cm3 (20 °C)
Relative vapour density: No data available
Explosives: No data available
Oxidizing properties: none
Burning rate: No data available
Evaporation rate: No data available
Molecular weight: 122,16 g/mol
Chemical Formula: C8H10O
Average Molecular Weight: 122.1644
Monoisotopic Molecular Weight: 122.073164942
IUPAC Name: 3,4-dimethylphenol
Traditional Name: 3,4-dimethylphenol
CAS Registry Number: 95-65-8
SMILES: CC1=C(C)C=C(O)C=C1
InChI Identifier: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChI Key: YCOXTKKNXUZSKD-UHFFFAOYSA-N
Linear Formula: (CH3)2C6H3OH
CAS Number: 95-65-8
Molecular Weight: 122.16
FEMA Number: 3596
Council of Europe no.: 11262
UNSPSC Code: 12164502
PubChem Substance ID: 24901802
Flavis number: 4.048
EC Number: 202-439-5
NACRES: NA.21
MDL number: MFCD00002304
Beilstein/REAXYS Number: 1099267
Organoleptic: burnt
Grade: FG, Fragrance grade, Halal
Biological source: synthetic
Agency: follows IFRA guidelines, meets purity specifications of JECFA
Food allergen: no known allergens
FIRST AID MEASURES of 3,4-XYLENOL:
-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 3,4-XYLENOL:
-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 3,4-XYLENOL:
-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 3,4-XYLENOL:
-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 3,4-XYLENOL:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.
STABILITY and REACTIVITY of 3,4-XYLENOL:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available
