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Trichloroethylene, Trichloroethene, Ethylene Trichloride, Acetylene Trichloride, Trilene, TCE, 79-01-6

Trichloroethylene, Trichloroethene, Ethylene Trichloride, Acetylene Trichloride, Trilene, TCE, 79-01-6

TRICHLOROETHYLENE (TCE)

1. Chemical Identity and Material Classification

  • Chemical Name: Trichloroethylene, Trichloroethene, 1,1,2-Trichloroethene

  • Synonyms: TCE, Ethylene Trichloride, Acetylene Trichloride, Trilene, Tri-Clene, Trimar, Dow-Tri, Westrosol, Triad

  • CAS Number: 79-01-6

  • Molecular Formula: C₂HCl₃

  • Molecular Weight: 131.39 g/mol

  • EC Number (EINECS): 201-167-4

  • MDL Number: MFCD00000838

  • RTECS: KX4550000

  • UN Number: 1710

2. Physical Properties

2.1 General Physical Properties

Property Value
Appearance Colorless to pale yellow liquid
Odor Sweet, chloroform-like odor
Physical state Liquid (volatile)
Density (20°C) 1.474 g/cm³
Density range (20°C) 1.456–1.462 g/cm³
Melting point -86°C to -87.1°C (-123°F)
Boiling point 86.7–87.2°C (186–189°F)
Flash point 12.1°C (54°F) – highly flammable
Autoignition temperature 410°C (770°F)
Explosive limits (vol% in air) Lower: 7.9%; Upper: 37.5%
Vapor pressure (25°C) 72.4 mmHg
Vapor density (air = 1) 4.53 (heavier than air)
Refractive index (nD20) 1.478–1.489
Viscosity (20°C) 0.55 cP
Surface tension (25°C) 28.7 mN/m

2.2 Water Solubility

Temperature Solubility
20°C 0.11 g/100 mL (1.1 g/L) – slightly soluble
25°C 0.11 g/100 mL

2.3 Organic Solvent Solubility

  • Miscible with most organic solvents (ethanol, diethyl ether, acetone, chloroform, benzene)

  • Immiscible with water

3. Chemical Properties

3.1 Molecular Structure

  • Structure: CHCl=CCl₂ (1,1,2-Trichloroethene)

  • Type: Chlorinated unsaturated hydrocarbon (alkene)

  • Double bond: One carbon-carbon double bond

  • Chlorine atoms: Three (two on one carbon, one on the other)

3.2 Stability and Decomposition

Parameter Behavior
Stability at room temperature Relatively stable
Light sensitivity Decomposes when exposed to UV light
Heat decomposition Decomposes upon heating or combustion
Decomposition products Phosgene (COCl₂), hydrochloric acid (HCl), carbon monoxide, chlorine
Catalytic decomposition Decomposes at 250–600°C in contact with Fe, Cu, Zn, Al
Inhibitors Often stabilized with amines or alcohols to prevent decomposition

3.3 Chemical Reactivity

Reaction Description
With strong bases Elimination reaction → dichloroacetylene (explosive)
With oxidizing agents Violent reaction, may cause fire/explosion
With metals Can react with Ba, Li, Mg, Na, Ti, Al, Fe, Cu, Zn at elevated temperatures
With oxygen May form explosive peroxides under certain conditions
Photochemical reaction Forms phosgene upon UV exposure

3.4 Incompatibilities

  • Strong oxidizing agents (nitrates, permanganates, peroxides, chromates)

  • Strong bases (KOH, NaOH) – forms explosive dichloroacetylene

  • Reactive metals (Al, Mg, Ba, Li, Na, K, Ti, Zn)

  • Liquid oxygen, ozone

  • Barium, dinitrogen tetroxide, potassium nitrate

4. Production Methods

4.1 Dehydrochlorination of Tetrachloroethane (Primary Method)

Reaction: C₂H₂Cl₄ + Ca(OH)₂ → C₂HCl₃ + CaCl₂ + 2H₂O

Process:

  1. Tetrachloroethane treated with lime or alkali in presence of water

  2. Reaction produces trichloroethylene and calcium chloride

  3. Distillation and purification

4.2 Ethylene Chlorination Process

Process:

  1. Ethylene is chlorinated to produce tetrachloroethane

  2. Tetrachloroethane is dehydrochlorinated to trichloroethylene

  3. Fractional distillation for purification

5. Industrial Applications

5.1 Metal Degreasing and Cleaning (Primary Application)

Parameter Value
Application Vapor degreasing of metal parts; removal of oils, greases, waxes
Process Parts immersed in boiling TCE vapor; condensation removes contaminants
Industries Automotive, aerospace, electronics, metal fabrication
Advantages Excellent solvent power, non-flammable under controlled conditions, low boiling point

5.2 Chemical Intermediate

Application Description
Production of HFC-134a Precursor for 1,1,1,2-tetrafluoroethane (refrigerant) – phased out in many regions
Production of perchloroethylene Chlorination to tetrachloroethylene
Production of dichloroacetyl chloride Oxidation intermediate
Production of hexachloroethane Further chlorination

5.3 Extraction Solvent

Application Description
Plant extraction Extraction of oils, waxes, resins from plants
Mineral oil extraction Extraction from natural sources
Vegetable oil extraction Limited use

5.4 Dry Cleaning (Historical, Now Largely Phased Out)

Parameter Value
Application Dry cleaning solvent (historically)
Current status Largely replaced by perchloroethylene and other solvents due to toxicity concerns

5.5 Pharmaceutical and Organic Synthesis

Application Description
Drug manufacturing Intermediate in synthesis of certain pharmaceuticals
Organic synthesis Solvent for various organic reactions

5.6 Rubber and Polymer Processing

Application Description
Rubber industry Solvent for rubber and resin processing
Polymer dissolution Dissolves fats, rubbers, resins, and alkaloids

5.7 Textile Industry (Historical)

Application Description
Fabric washing Scouring and degreasing of fabrics (historically)

5.8 Pesticide and Perfume Industry

Application Description
Pesticide manufacturing Intermediate for certain pesticides
Perfume industry Solvent and extraction aid

5.9 Refrigeration (Historical)

Application Description
Refrigerant Used as a refrigerant (now largely phased out due to toxicity)

6. Toxicology and Health Hazards

6.1 Acute Toxicity

Parameter Value
Oral LD₅₀ (rat) 4,920 mg/kg (moderate toxicity)
Inhalation LC₅₀ (rat, 4 hours) 8,000 ppm (0.8% v/v)
Dermal LD₅₀ (rabbit) >20,000 mg/kg (low dermal toxicity)

6.2 Acute Health Effects

Exposure Route Effects
Inhalation Headache, dizziness, drowsiness, nausea, confusion, blurred vision, fatigue; high concentrations: unconsciousness, respiratory paralysis, cardiac arrhythmias
Eye contact Irritation, redness, pain
Skin contact Irritation, defatting, dermatitis with prolonged exposure
Ingestion Nausea, vomiting, diarrhea, chemical pneumonitis (if aspirated)

6.3 Chronic Health Effects (Severe – Carcinogen)

Effect Classification
Carcinogenicity IARC Group 1 – Carcinogenic to humans (kidney cancer, non-Hodgkin lymphoma, liver cancer)
Kidney toxicity Nephrotoxicity; linked to renal cell carcinoma
Liver toxicity Hepatotoxicity; liver damage
CNS depression Chronic neurological effects; cognitive impairment
Reproductive toxicity Possible effects on male fertility
Immunotoxicity Potential immune system effects
Cardiac toxicity Increased risk of cardiac arrhythmias (sensibilization)

6.4 Carcinogenicity Classification

Authority Classification
IARC Group 1 (Carcinogenic to humans) – kidney cancer, non-Hodgkin lymphoma
US EPA Carcinogenic to humans – high confidence
EU (CLP) Carc. 1B (H350 – May cause cancer)
ACGIH A2 – Suspected human carcinogen
NTP Known to be a human carcinogen (14th Report on Carcinogens)

6.5 Target Organs

  • Kidneys (primary target)

  • Liver

  • Central nervous system (CNS)

  • Heart

  • Immune system

6.6 Mutagenicity

  • Positive in some genotoxicity studies

  • May cause genetic damage

7. GHS Classification

Classification Category
Signal word Danger
Hazard statements H350 – May cause cancer
  H361d – Suspected of damaging fertility or the unborn child
  H319 – Causes serious eye irritation
  H336 – May cause drowsiness or dizziness
  H411 – Toxic to aquatic life with long-lasting effects
Precautionary statements P201, P202, P260, P264, P280, P281, P301+P310, P302+P352, P304+P340, P308+P313, P332+P313, P337+P313, P403+P233

8. Occupational Exposure Limits

Authority Limit Type
OSHA PEL 100 ppm (537 mg/m³) TWA (8 hour)
NIOSH REL 2 ppm (10.4 mg/m³) – lowest feasible limit TWA (8 hour)
NIOSH IDLH 1,000 ppm Immediately Dangerous to Life and Health
ACGIH TLV 10 ppm TWA (8 hour)
DFG MAK (Germany) 2 ppm (10 mg/m³) – carcinogen category 1B TWA

9. Safety Precautions and Personal Protective Equipment (PPE)

  • Hazards:

    • Confirmed human carcinogen (IARC Group 1)

    • Flammable – flash point 12.1°C

    • Vapors are heavier than air and may travel to ignition sources

    • Decomposes to toxic phosgene and HCl upon heating

    • CNS depressant – causes drowsiness and dizziness

  • PPE (mandatory):

    • Chemical-resistant gloves (PVA, Viton, or butyl rubber – do not use neoprene or nitrile for prolonged contact)

    • Chemical splash goggles (EN 166) or full face shield

    • Protective clothing (chemical-resistant)

    • Respiratory protection: Supplied-air respirator or SCBA for high concentrations; organic vapor cartridge (Type A) for low concentrations

  • Engineering controls:

    • Local exhaust ventilation (LEV) mandatory

    • Enclosed processes where possible

    • Eyewash stations and safety showers

    • Explosion-proof electrical equipment

  • Fire protection:

    • Use CO₂, dry chemical, or alcohol-resistant foam (water spray may spread fire)

    • Do NOT use water jet (may spread vapor)

  • First aid:

    • Inhalation: Remove to fresh air; if breathing difficulty, give oxygen; if stopped, give artificial respiration; seek immediate medical attention

    • Eye contact: Rinse with water for 15 minutes; seek medical attention

    • Skin contact: Remove contaminated clothing; wash with soap and water; seek medical attention

    • Ingestion: Do NOT induce vomiting; aspiration hazard; seek immediate medical attention

10. Environmental Fate

Parameter Value
Biodegradation Slow (persistent in groundwater)
Photodegradation Moderate (atmospheric half-life ~7 days)
Hydrolysis Very slow (half-life >100 years at pH 7, 25°C)
Bioaccumulation Moderate (log Kow = 2.42)
Groundwater persistence Highly persistent; common groundwater contaminant
Atmospheric lifetime ~7 days (reacts with OH radicals)
Ozone depletion potential ODP = 0.0003 (very low)

10.1 Ecotoxicity

Organism Endpoint Value
Fish (LC₅₀, 96 hours) Rainbow trout 40–100 mg/L
Daphnia magna (EC₅₀, 48 hours) Water flea 20–50 mg/L
Algae (EC₅₀, 72 hours) Green algae 50–100 mg/L

Hazard classification: H411 – Toxic to aquatic life with long-lasting effects

11. Storage and Handling

11.1 Storage Conditions

Parameter Requirement
Temperature Store below 30°C (cool, well-ventilated area)
Container Keep tightly closed in original container (steel drums, stainless steel)
Inert atmosphere Nitrogen blanketing recommended to prevent decomposition
Protect from UV light (use opaque or UV-resistant containers), heat, flames, oxidizing agents
Incompatibles Strong oxidizing agents, strong bases, reactive metals
Fire protection Store away from ignition sources; flammable storage area

11.2 Shelf Life

Parameter Value
Shelf life (stabilized) 12–24 months (in sealed container)
Degradation indicators Color change (yellowing), acid formation (pH decrease), chloride formation

11.3 Container Materials

Material Suitability
Stainless steel (304, 316) Suitable
Carbon steel Suitable (dry conditions)
Aluminum Suitable
Copper Not recommended (catalyzes decomposition)
Zinc Not recommended
Rubber (natural) Not suitable (swells/degrades)
Neoprene Limited use (short-term only)
Viton, PVA, Butyl rubber Suitable for gloves

12. Transport Information

Regulation Classification
UN Number 1710
Proper shipping name Trichloroethylene
ADR/RID Class 6.1 (Toxic substances)
IMDG Class 6.1, Packing group III
IATA Class 6.1, PG III
Hazard label 6.1 (Toxic) + additional flammable label (flash point 12.1°C)
Marine pollutant Yes (considered harmful to aquatic environment)

13. Regulatory Status (Critical – Highly Regulated)

Regulation Classification / Restriction
IARC Group 1 – Carcinogenic to humans
US EPA Hazardous air pollutant (HAP) – regulated under Clean Air Act; Superfund priority substance
EU REACH Candidate List for Authorisation; restricted use
EU CLP Carc. 1B (H350), STOT RE 1 (H372), Aquatic Chronic 2 (H411)
California Prop 65 Known to cause cancer and reproductive toxicity
OSHA Regulated as carcinogen
NIOSH Recommended as potential occupational carcinogen
RoHS Not applicable (not electrical/electronic)
Stockholm Convention Not listed (but perchloroethylene is under review)
Montreal Protocol Not an ozone-depleting substance

Phase-out and Restrictions:

  • EU: Use restricted under REACH; many uses banned (e.g., metal degreasing phased out in many member states)

  • USA: Use decreasing; subject to EPA regulations; many states have restricted use

  • California: Listed under Proposition 65; strict exposure controls required

14. Synonyms and Common Names

  • English: Trichloroethylene, TCE, Ethylene trichloride, Acetylene trichloride, Trichloroethene, 1,1,2-Trichloroethene, Tri, Trilene, Trimar, Dow-Tri, Westrosol

  • French: Trichloroéthylène

  • German: Trichlorethylen

  • Spanish: Tricloroetileno

  • Turkish: Trikloroetilen, TCE

15. History and Current Status

  • Historical uses: Metal degreasing, dry cleaning, anesthetic (Trilene), refrigerant, coffee decaffeination, food extraction

  • Current status:

    • Metal degreasing: Decreasing; replaced by other solvents (HFE, nPB, aqueous cleaning)

    • Chemical intermediate: Still used for HFC-134a production (phasing down)

    • Dry cleaning: Largely replaced by perchloroethylene (also being phased out)

    • Banned in many applications due to carcinogenicity

16. Why Was TCE Used? (Historical Advantages – Not Recommended)

Historical Advantage Description
Excellent solvent power Dissolves oils, greases, waxes effectively
Low boiling point (87°C) Efficient vapor degreasing
Non-flammable (when stabilized) Safe for use near ignition sources (but flash point 12.1°C – actually flammable)
Fast evaporation Leaves no residue
Stable when stabilized Good shelf life

Current Disadvantages (Why Avoid):

  • Confirmed human carcinogen (IARC Group 1)

  • Toxic to kidneys and liver

  • Neurotoxic

  • Environmental contaminant (persistent in groundwater)

  • Flammable (flash point 12.1°C)

  • Decomposes to phosgene (toxic gas)

  • Heavily regulated

17. Alternatives to TCE

Application Alternative Status
Metal degreasing Aqueous cleaning, n-Propyl Bromide (nPB), HFE, trans-1,2-dichloroethylene (DCE) Transitioning
Dry cleaning Perchloroethylene (still used), liquid CO₂, silicone-based solvents, wet cleaning Transitioning
Chemical intermediate Limited; HFC-134a production still uses TCE but phasing down due to F-gas regulations Phasing down

18. Environmental Contamination (Superfund)

TCE is one of the most common groundwater contaminants at Superfund sites in the United States:

  • Primary sources: Metal degreasing operations, dry cleaners, industrial waste disposal

  • Typical contaminant levels: ppb to ppm range

  • Cleanup technologies: Air stripping, activated carbon, bioremediation, chemical oxidation, pump-and-treat

19. Hazard Summary

Hazard Category Risk
Carcinogenicity IARC Group 1 – Confirmed human carcinogen (kidney, NHL, liver)
Specific target organ toxicity Kidney, liver, CNS
Flammability Flash point 12.1°C – highly flammable
Decomposition products Phosgene (toxic), HCl (corrosive)
Environmental persistence Groundwater contaminant; toxic to aquatic life
Mutagenicity Positive in some assays

20. Summary Table – Key Specifications at a Glance

Parameter Value
Product Name Trichloroethylene (TCE)
CAS Number 79-01-6
Molecular Formula C₂HCl₃
Molecular Weight 131.39 g/mol
Appearance Colorless to pale yellow liquid
Odor Sweet, chloroform-like
Density (20°C) 1.474 g/cm³
Boiling Point 86.7–87.2°C
Melting Point -86°C to -87.1°C
Flash Point 12.1°C – highly flammable
Vapor Pressure (25°C) 72.4 mmHg
Water Solubility 0.11 g/100 mL (slightly soluble)
log Kow 2.42
Primary Historical Applications Metal degreasing, dry cleaning, refrigerant, anesthetic, chemical intermediate
IARC Carcinogenicity Group 1 – Carcinogenic to humans
GHS Signal Word Danger
Hazard Statements H350, H361d, H319, H336, H411
UN Number 1710
Environmental Persistence High (groundwater)

CRITICAL SAFETY NOTICE: Trichloroethylene (TCE) is classified as IARC Group 1 – Carcinogenic to humans (causes kidney cancer, non-Hodgkin lymphoma, and liver cancer). It is a confirmed human carcinogen, neurotoxin, hepatotoxin, and nephrotoxin. Use is heavily restricted in many jurisdictions. Do not use without comprehensive risk assessment, engineering controls (local exhaust ventilation), personal protective equipment, and medical surveillance. Alternative solvents should be considered wherever possible.

This TDS is prepared in compliance with ISO 11014-1 format and is intended for industrial hygiene professionals, environmental engineers, chemical engineers, safety professionals, and procurement specialists. This material is NOT recommended for new applications due to its carcinogenicity and regulatory restrictions. Safety Data Sheets (SDS), exposure monitoring protocols, and regulatory compliance guidance are available upon request.

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