PRODUCTS

DI-TERT-DODECYL PENTASULFIDE

Di-tert-dodecyl pentasulfide is used in lubricant formulations for applications involving gears, bearings, metalworking systems, and other heavily loaded mechanical components.
Di-tert-dodecyl pentasulfide may also be incorporated into cutting and metalworking fluids where extreme-pressure and anti-wear performance is required.
Di-tert-dodecyl pentasulfide can be used in industrial gear oils and other specialty lubricants exposed to demanding operating conditions.

CAS Number: 31565-23-8
EC Number / EINECS Number: 250-702-8
Molecular Formula: C24H50S5
Molecular Weight: approximately 498.9 g/mol

SYNONYMS:
Di-tert-dodecyl pentasulfide, Di(tert-dodecyl) pentasulfide, Di-tert-dodecyl pentasulphide, Di(tert-dodecyl) pentasulphide, Di-tert-dodecyl polysulfide, Di(tert-dodecyl) polysulfide, Di-tert-dodecyl sulfur pentasulfide, Di-tert-dodecyl sulfide pentamer

Di-tert-dodecyl pentasulfide is an organic polysulfide containing two tert-dodecyl groups connected by a chain of five sulfur atoms.
Di-tert-dodecyl pentasulfide is primarily an industrial lubricant and extreme-pressure additive because the sulfur-rich structure can react with metal surfaces under high load and temperature, helping reduce friction, wear and seizure.

A very important point for chemical identification is that di-tert-dodecyl pentasulfide is the discrete pentasulfide with CAS 31565-23-8, whereas “polysulfides, di-tert-dodecyl” (CAS 68425-15-0) is a related commercial substance/mixture containing different sulfur-chain lengths.
Di-tert-dodecyl pentasulfide is an organosulfur compound containing two tert-dodecyl groups and a chain of sulfur atoms.

Di-tert-dodecyl pentasulfide is a high-molecular-weight, sulfur-containing material with strong hydrophobic characteristics and very low water solubility.
Di-tert-dodecyl pentasulfide is mainly associated with industrial lubricant and specialty additive chemistry.

Its sulfur-rich structure gives Di-tert-dodecyl pentasulfide useful chemical properties in applications where resistance to high pressure, heat, and mechanical stress is required.
Di-tert-dodecyl pentasulfide is generally supplied as an industrial chemical rather than as a consumer product.
Di-tert-dodecyl pentasulfide's physical form, sulfur content, and other specifications may vary depending on the grade and manufacturing process.

USES and APPLICATIONS of DI-TERT-DODECYL PENTASULFIDE:
Di-tert-dodecyl pentasulfide is primarily used as a sulfur-containing additive in lubricants and industrial oils.
Di-tert-dodecyl pentasulfide can be used as an extreme-pressure additive to improve the performance of lubricants under heavy loads and high-contact pressures.
Di-tert-dodecyl pentasulfide can contribute to the formation of protective sulfur-containing films on metal surfaces, helping to reduce direct metal-to-metal contact.

Di-tert-dodecyl pentasulfide's hydrophobic organic structure provides compatibility with many oil-based formulations.
Di-tert-dodecyl pentasulfide may also be used as a sulfur donor in specialized chemical formulations where controlled sulfur reactivity is desirable.

Di-tert-dodecyl pentasulfide's applications are mainly found in industrial lubrication, metalworking, petroleum-related formulations, and specialty additive manufacturing.
The exact application and recommended concentration of Di-tert-dodecyl pentasulfide depend on the formulation, operating conditions, and technical specifications of the particular commercial grade.

CHARACTERISTICS of DI-TERT-DODECYL PENTASULFIDE:
Di-tert-dodecyl pentasulfide is a highly hydrophobic, sulfur-rich organic additive primarily designed for severe-duty lubrication.
Di-tert-dodecyl pentasulfide's two tert-dodecyl groups provide excellent compatibility with oil-based lubricant systems, while its five-sulfur chain provides the chemically active component responsible for extreme-pressure and antiwear behavior.

Di-tert-dodecyl pentasulfide's most important physical characteristics are its very low water solubility, very high calculated Log Kow, low vapour pressure and relatively low melting range.
Di-tert-dodecyl pentasulfide's most important industrial characteristics are its ability to provide extreme-pressure protection, antiwear protection and surface protection in heavily loaded metal contacts.

Di-tert-dodecyl pentasulfide is particularly relevant to lubricants, greases and metalworking fluids.
The closely related di-tert-dodecyl polysulfide mixtures are also used in these applications.

For safety purposes, Di-tert-dodecyl pentasulfide should be handled as an industrial organosulfur chemical with appropriate ventilation and PPE, particularly where heating or aerosol generation can occur.
The current occupational-health assessment identifies a MAK value of 5 mg/m³ for the respirable fraction.

MOLECULAR STRUCTURE of DI-TERT-DODECYL PENTASULFIDE:
Di-tert-dodecyl pentasulfide contains two highly branched tert-dodecyl hydrocarbon groups connected through a chain containing five sulfur atoms.
Di-tert-dodecyl pentasulfide's general structural arrangement can be represented as: (tert-C12H25)-S-S-S-S-S-(tert-C12H25)

The molecule therefore has:
Two hydrocarbon-rich ends
One sulfur-rich central chain
Five sulfur atoms
No oxygen atoms
No nitrogen atoms
No halogens
This structure is responsible for Di-tert-dodecyl pentasulfide's strong oil compatibility and its ability to provide active sulfur to metal surfaces under extreme-pressure conditions.

WATER SOLUBILITY of DI-TERT-DODECYL PENTASULFIDE:
Di-tert-dodecyl pentasulfide has extremely low water solubility.
A reported value is approximately: 0.26 µg/L water
Another environmental assessment reports an estimated solubility of approximately 5.36 × 10⁻⁸ mg/L for CAS 31565-23-8.
This extremely low solubility is expected because Di-tert-dodecyl pentasulfide contains two large hydrophobic hydrocarbon groups and no strongly hydrophilic functional groups.
Consequently, Di-tert-dodecyl pentasulfide should be considered essentially water-insoluble for practical formulation purposes.

LOG KOW of DI-TERT-DODECYL PENTASULFIDE:
The calculated octanol/water partition coefficient is extremely high.
Log Kow: >12
This indicates very strong preference for the organic phase over water.
This property is important for understanding both Di-tert-dodecyl pentasulfide's lubricant performance and its environmental behavior.
The high Log Kow is consistent with Di-tert-dodecyl pentasulfide's very low water solubility and strong affinity for hydrocarbon-based oils.

VAPOUR PRESSURE AND VOLATILITY of DI-TERT-DODECYL PENTASULFIDE:
The reported vapour pressure of Di-tert-dodecyl pentasulfide at 20 °C is approximately: 4.17 × 10⁻⁶ hPa
This is extremely low.
Therefore, evaporation at ordinary ambient temperatures is expected to be minimal.
However, heating during industrial processing can increase the potential for vapour and aerosol formation, particularly during high-temperature metalworking operations.
The MAK documentation specifically considers the possibility that the substance may occur simultaneously as vapour and aerosol under occupational conditions.

THERMAL CHARACTERISTICS of DI-TERT-DODECYL PENTASULFIDE:
The reported melting range of Di-tert-dodecyl pentasulfide is approximately: −48 to +28 °C
This relatively broad range reflects the fact that data associated with di-tert-dodecyl polysulfide materials may involve mixtures or different sulfur-chain distributions.
The exact melting behavior of a commercial product therefore depends on Di-tert-dodecyl pentasulfide's composition and sulfur-chain distribution.
The boiling range of Di-tert-dodecyl pentasulfide reported from ECHA-derived data is approximately: 193.7–238.5 °C at 1013 hPa.

CHEMICAL CHARACTERISTICS of DI-TERT-DODECYL PENTASULFIDE:
Di-tert-dodecyl pentasulfide is characterized by:
High sulfur content.
Very high hydrophobicity.
Very low water solubility.
Low vapour pressure.
High compatibility with nonpolar oils.
Strong affinity for lubricant formulations.
Extreme-pressure activity.
Anti-wear activity.
Thermal stability appropriate for lubricant applications.
Ability to provide chemically active sulfur under severe lubrication conditions.
The sulfur chain is the most important functional feature because sulfur-containing additives can react with metal surfaces under high-pressure/high-temperature conditions.

PHYSICAL and CHEMICAL PROPERTIES of DI-TERT-DODECYL PENTASULFIDE:
Chemical Name: Di-tert-dodecyl pentasulfide
Alternative Spelling: Di(tert-dodecyl) pentasulfide
CAS Number: 31565-23-8
EC Number / EINECS Number: 250-702-8
Molecular Formula: C24H50S5
Molecular Weight: approximately 498.9 g/mol
Chemical Class: Organic polysulfide
Sulfur Atoms: 5
Carbon Atoms: 24
Hydrogen Atoms: 50

Physical Form: Low-melting/highly hydrophobic organic material
Primary Industrial Function: Extreme-pressure and antiwear lubricant additive
Molecular Formula: C24H50S5
Molecular Weight: approximately 498.9 g/mol
Monoisotopic Mass: approximately 498.2516 Da
Molecular Formula: C24H50S5
Molecular Weight: approximately 498.9 g/mol
Monoisotopic Mass: approximately 498.25162 Da
Number of Sulfur Atoms: 5

Number of Carbon Atoms: 24
Number of Hydrogen Atoms: 50
Physical State: Liquid or low-melting material depending on temperature and composition
Melting Point: approximately −48 to +28 °C, depending on the material/data set
Boiling Point: approximately 193.7–238.5 °C at 1013 hPa in the ECHA-derived data reported by the MAK Commission
Density at 20 °C: approximately 1.0028 g/cm³
Vapour Pressure at 20 °C: approximately 4.17 × 10⁻⁶ hPa
Log Kow: >12, calculated
Water Solubility: approximately 0.26 µg/L
Hydrophobicity: Extremely high

Water Affinity: Extremely low
Oil Solubility: High/strong affinity for hydrocarbon-based lubricant systems
Volatility: Very low at ambient temperature
Polarity: Very low
Chemical Character: Organosulfur polysulfide
Molecular Weight: 498.9788g/mol
Molecular Formula: C24H50S5
Compound Is Canonicalized: True
XLogP3-AA: 10.9
Exact Mass: 498.25160746
Monoisotopic Mass: 498.25160746

Complexity: 460
Rotatable Bond Count: 12
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 127
Heavy Atom Count: 29
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1

FIRST AID MEASURES of DI-TERT-DODECYL PENTASULFIDE:
-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 DI-TERT-DODECYL PENTASULFIDE:
-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 DI-TERT-DODECYL PENTASULFIDE:
-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 DI-TERT-DODECYL PENTASULFIDE:
-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 DI-TERT-DODECYL PENTASULFIDE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of DI-TERT-DODECYL PENTASULFIDE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available

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