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EC number: 205-517-7 | CAS number: 141-98-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Additional information
Environmental fate and pathways
Environmental Fate/Exposure Summary:
Environmental exposure
IPETC/ O-isopropyl ethylthiocarbamate is used in the mining industry as flotation agents as a fine collector for minerals such as copper sulfate, lead, zinc, molybdenum and nickel. The IPETC/ O-isopropyl ethylthiocarbamate is the best collector for copper sulfate. The amount of IPETC/O-isopropyl ethylthiocarbamate used is very small relative to the quantity of ore treated, being approximately 2 to 50 g/tonne of ore.
The flotation process is fully automated. The process takes place in open tanks. However, the concentration of IPETC/O-isopropyl ethylthiocarbamate in the flotation tank is low and, therefore, the release of Carbon monoxide; carbon dioxide; oxides of nitrogen; oxides of sulphur (includes sulphur di and tri oxides) would be expected to be low.
Air monitoring data, although limited and of poor quality, indicate that the atmospheric levels of carbon dioxide; oxides are below 10 ppm in the flotation areas. The risk to workers during the flotation process is considered to be low.
Environmental fate
IPETC/O-isopropyl ethylthiocarbamate was hydrolytically stable (half life > 1 year) specified by the OECD Guidelines. This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 3.32, and predicted bioconcentration factors, log BCF = 1.86 (EPIWIN/BCF Program). IPETC/O-isopropyl ethylthiocarbamate is not expected to contaminate the environment where ore tailings are confined to well constructed tailings dams. Most will be retained on sulphide minerals and destroyed when they are dried after flotation. Minor residues that remain associated with tailings will be destroyed by hydrolysis intailings dams.
Critical Health Effects
The critical health effects for risk characterisation include, a systemic acute effect (acute toxicity from oral exposure) and a local effect (skin irritation and eye irritation).
Public Risk Characterisation
Given that there are no consumer uses identified for the chemical, it is unlikely that the public will be exposed. Hence, the public risk from this chemical is not considered to be unreasonable.
Occupational Risk Characterisation
During product formulation, oral and dermal exposure might occur, particularly where manual or open processes are used. These could include transfer and blending activities, quality control analysis, and cleaning and maintaining equipment. Worker exposure to the chemical at lower concentrations could also occur while using formulated products containing the chemical. The level and route of exposure will vary depending on the method of application and work practices employed.
Given the critical systemic long-term, systemic acute and local health effects, the chemical could pose an unreasonable risk to workers unless adequate control measures to minimise oral and dermal exposure are implemented. The chemical should be appropriately classified and labelled to ensure that a person conducting a business or undertaking (PCBU) at a workplace (such as an employer) has adequate information to determine the appropriate controls.
Stability
Phototransformation in air
If released to air, a vapor pressure of 0.68mm Hg at 25 deg C (0.68 mm Hg is equivalent to vapour pressure of 90.7 Pa ) indicates that O-isopropyl ethylthiocarbamate (IPETC ) will exist solely as a vapor in the atmosphere. Vapor-phase O-isopropyl ethylthiocarbamate will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 0.234 days, calculated from its rate constant of 45.7698 E-12 cm3/molecule-sec at 25 deg.
O-isopropyl ethylthiocarbamate (IPETC) do not contain chromophores that absorb at wavelengths >290 nm and therefore O-isopropyl ethylthiocarbamate (IPETC ) is not expected to be susceptible to direct photolysis by sunlight.
Using the AOPWIN QSAR model, the photochemical degradation rate of O-isopropyl ethylthiocarbamate in the atmosphere is 45.7698 E-12cm3/molecule-sec, with a resultant predicted half live of 2.804 Hrs ( 0.234 Days (12-hr day; 1.5E6 OH/cm3))
OVERALL OH Rate Constant = 45.7698 E-12 cm3/molecule-sec
HALF-LIFE = 0.234 Days (12-hr day; 1.5E6 OH/cm3)
HALF-LIFE = 2.804 Hrs
Phototransformation in water
It is not applicable for a compound wich is slightly soluble or moderately soluble
Phototransformation in soil
If released to soil, Isopropyl Ethyl Thionocarbamate (IPETC) is expected to have high mobility based upon an estimated Koc of 79.22 . Volatilization from moist soil surfaces is not expected to be an important fate process.
Therefore testing for Phototransformation in soils does not need to be performed.
Hydrolysis
Hydrolysis is a chemical reaction during which molecules of water (H2O) are split into hydrogen cations (H+, conventionally referred to as protons) and hydroxide anions (OH−) in the process of a chemical mechanism).
The hydrolysis of the substance was less than 10% over the 5 days, so a definitive test was not performed. Based on these results, IPETC/O-isopropyl ethylthiocarbamate was hydrolytically stable (half life > 1 year) specified by the OECD Guidelines .
Biodegradation
Biodegradation in water: screening tests
Propan-2-ol (Isopropyl alcohol) and Butan-1-ol (Butyl alcohol) are both reagents used in the manufacture of IPETC/O-isopropyl ethylthiocarbamate . Therefore, the Biodegradation in water of Propan-2-ol (Isopropyl alcohol) and Butan-1-ol (Butyl alcohol) need to be considered in the assessment of IPETC/O-isopropyl ethylthiocarbamate .
The results suggest that Propan-2-ol (Isopropyl alcohol) and Butan-1-ol (Butyl alcohol) are readily biodegradable and therefore IPETC/O-isopropyl ethylthiocarbamate will be readily biodegradable and it is not expected to persist in the environment.
The ready biodegradability of n-butanol was examined. After 5 days, approximately 68% of the test material was degraded. After 10 and 15 days, approximately 87 and 92% of the test material was degraded. Butan-1-ol (Butyl alcohol) is both reagents used in the manufacture of Reaction mass of O-isopropyl ethylthiocarbamate and n-butanol and propan-2-ol. Therefore, the Biodegradation in water of Butan-1-ol (Butyl alcohol) need to be considered in the assessment of IPETC/O-isopropyl ethylthiocarbamate.
These results suggest that IPETC/O-isopropyl ethylthiocarbamate will be readily biodegradable and it is not expected to persist in the environment.
A 5-day aerobic test with isopropyl alcohol/ propan-2-ol reported 53 % biooxidation.
A BOD5/COD ratio ≥ 0.5 for propan-2-ol is considered as indicative of rapid degradation. Thus, a substance which passes this screening test is considered likely to biodegrade 'rapidly' in the aquatic environment, and is thus unlikely to be persistent.
The results suggest that Propan-2-ol (Isopropyl alcohol) and Butan-1-ol (Butyl alcohol) are readily biodegradable and therefore IPETC/O-isopropyl ethylthiocarbamate will be readily biodegradable and it is not expected to persist in the environment.
Biodegradation in water and sediment: simulation tests
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE”, a simulation testing on ultimate degradation in surface water, the study does not need to be performed if the substance is ready biodegradable.
Propan-2-ol (Isopropyl alcohol) and Butan-1-ol (Butyl alcohol) are both reagents used in the manufacture of IPETC/O-isopropyl ethyl thiocarbamate.Therefore, the Biodegradation in water of Propan-2-ol (Isopropyl alcohol)and Butan-1-ol (Butyl alcohol) need to be considered in the assessment of IPETC/O-isopropyl ethyl thiocarbamate .
The results suggest that Propan-2-ol (Isopropyl alcohol) and Butan-1-ol (Butyl alcohol) are readily biodegradable and therefore IPETC/O-isopropyl ethylthiocarbamate will be readily biodegradable and it is not expected to persist in the environment.
As IPETC/O-isopropyl ethylthiocarbamate is ready biodegradable a ready biodegradability study does not need to be conducted.
Therefore testing for Biodegradation in water does not need to be performed.
Biodegradation in soil
If released to soil, O-isopropyl ethylthiocarbamate (IPETC) is expected to have very high mobility based upon an estimated Koc of 79.22. Volatilization from moist soil surfaces is not expected to be an important fate process.
Therefore testing for biodegradation in soil does not need to be performed.
Bioaccumulation
This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 3.32, and predicted bioconcentration factors, log BCF = 1.86 (EPIWIN/BCF Program).
The estimated BCF of 71.82 L/kg wet-wt was measured by calculation from EPI SuiteTM v4.1 Program.
These values would suggest very low bioaccumulation potential.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
BCFBAF Program (v3.01) Results:
==============================
SMILES : O(C(=NCC)S)C(C)C
CHEM : Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
MOL FOR: C6 H13 N1 O1 S1
MOL WT : 147.24
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.86 (BCF = 71.8 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.471 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.02 (BAF = 104 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 3.32
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 1.856 (BCF = 71.82 L/kg wet-wt)
Bioaccumulation: terrestrial
This substance has a limited potential to bioaccumulate (based on log Kow used by BCF estimates: 3.32, and predicted bioconcentration factors, log BCF = 1.86 (EPIWIN/BCF Program).
The estimated BCF of 71.82 L/kg wet-wt was measured by calculation from EPI SuiteTM v4.1 Program.
These values would suggest very low bioaccumulation potential.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
BCFBAF Program (v3.01) Results:
==============================
SMILES : O(C(=NCC)S)C(C)C
CHEM : Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
MOL FOR: C6 H13 N1 O1 S1
MOL WT : 147.24
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.86 (BCF = 71.8 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.471 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 2.02 (BAF = 104 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 3.32
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 1.856 (BCF = 71.82 L/kg wet-wt)
===========================================================
Whole Body Primary Biotransformation Rate Estimate for Fish:
===========================================================
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | LOG BIOTRANSFORMATION FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 3 | Methyl [-CH3] | 0.2451 | 0.7353
Frag | 1 | -CH2- [linear] | 0.0242 | 0.0242
Frag | 1 | -CH- [linear] | -0.1912 | -0.1912
L Kow| * | Log Kow = 3.32 (KowWin estimate) | 0.3073 | 1.0198
MolWt| * | Molecular Weight Parameter | | -0.3776
Const| * | Equation Constant | | -1.5058
============+============================================+=========+=========
RESULT | LOG Bio Half-Life (days) | | -0.3266
RESULT | Bio Half-Life (days) | | 0.4714
NOTE | Bio Half-Life Normalized to 10 g fish at 15 deg C |
============+============================================+=========+=========
Biotransformation Rate Constant:
kM (Rate Constant): 1.47 /day (10 gram fish)
kM (Rate Constant): 0.8268 /day (100 gram fish)
kM (Rate Constant): 0.465 /day (1 kg fish)
kM (Rate Constant): 0.2615 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 2.016 (BCF = 103.7 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 2.016 (BAF = 103.7 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 1.970 (BCF = 93.32 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 1.970 (BAF = 93.38 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 1.944 (BCF = 87.96 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 1.946 (BAF = 88.34 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 2.346 (BCF = 221.7 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 2.452 (BAF = 282.9 L/kg wet-wt)
Transport and distribution
Adsorption / desorption
According to “ANNEX IX- STANDARD INFORMATION REQUIREMENTS FOR SUBSTANCES MANUFACTURED OR IMPORTED IN QUANTITIES OF 100 TONNES OR MORE , an adsorption study need not be conducted if:
— based on the physicochemical properties the substance can be expected to have a low potential for adsorption (e.g. the substance has a low octanol water partition coefficient), or
— the substance and its degradation products decompose rapidly.
The log of the adsorption coefficient (KOC) ofIsopropyl Ethyl Thionocarbamate (IPETC )was estimated to be log KOC = 1.8988which is equal to a KOC value of 79.22 using theKOCWIN v2.00 QSARmethod.
This value indicates thatIsopropyl Ethyl Thionocarbamate (IPETC )will be adsorbed by organic carbon in soil.Isopropyl Ethyl Thionocarbamate (IPETC )can be classified to be of very high mobility in soilaccording these resultsand does not have a high potential for adsorption to soil. Isopropyl Ethyl Thionocarbamate (IPETC )adsorbs strongly to sulphide minerals but has less affinity for surfaces in general. The KOC value of 79.22 also suggest thisconclusion.
The estimated Soil Adsorption Coefficient was 79.22 L/kg measured by calculation from EPI SuiteTM v4.1 Program. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency
KOCWIN Program (v2.00) Results:
==============================
SMILES : O(C(=NCC)S)C(C)C
CHEM : Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
MOL FOR: C6 H13 N1 O1 S1
MOL WT : 147.24
--------------------------- KOCWIN v2.00 Results ---------------------------
Koc Estimate from MCI:
---------------------
First Order Molecular Connectivity Index ........... : 4.164
Non-Corrected Log Koc (0.5213 MCI + 0.60) .......... : 2.7704
Fragment Correction(s):
1 Ether, aliphatic (-C-O-C-) .......... : -0.8716
Corrected Log Koc .................................. : 1.8988
Estimated Koc: 79.22 L/kg <===========
Koc Estimate from Log Kow:
-------------------------
Log Kow (Kowwin estimate) ......................... : 3.32
Non-Corrected Log Koc (0.55313 logKow + 0.9251) .... : 2.7615
Fragment Correction(s):
1 Ether, aliphatic (-C-O-C-) .......... : -0.0906
Corrected Log Koc .................................. : 2.6709
Estimated Koc: 468.7 L/kg <===========
Henry's Law constant
The estimated Henrys Law Constant (25 deg C) measured by calculation from EPI SuiteTM v4.1, HENRYWIN v3.20 Program was 4.71E-006 atm-m3/mole (4.78E-001 Pa-m3/mole) , which is almost zero.
This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency).
Distribution modelling.
Isopropyl Ethyl Thionocarbamate (IPETC ) has no affinity to be in air and sediment. The direct emissions to soil and surface water are significant, therefore Isopropyl Ethyl Thionocarbamate (IPETC ) will be almost exclusively be found in soil and surface water.
Mackay fugacity modelling (level 3) indicates that, taking into account degradation and using inflow parameters which are consistent with the known production tonnage of this substance in, fugacity coefficient indicates that environmental concentrations in water are predicted to be 5.95e-011 (atm), in air (atm) 1.29e-011and soil 7.32e-010 (atm) and sediment to be 5.18e-011 (atm).
These are negligible low levels. This can be considered a worse case prediction as it assumes all product is emitted with no emission control systems used.
Other distribution data
These results suggest for Isopropyl Ethyl Thionocarbamate (IPETC) that direct and indirect exposure from distribution in media is unlikely.
Based on low vapor pressure and low estimated log Pow, expected to partition to water and soil. Not expected to partition to air, sediments or biota.
Therefore testing for distribution in media does not need to be performed.
The estimated STP Fugacity Model and Volatilization From Water were measured by calculation from EPI SuiteTM v4.1 Program. This is Exposure Assessment Tools and Models made from EPA (Environmental Protection Agency) .
Volatilization From Water
=========================
Chemical Name: Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
Molecular Weight : 147.24 g/mole
Water Solubility : -----
Vapor Pressure : -----
Henry's Law Constant: 4.71E-006 atm-m3/mole (estimated by Bond SAR Method)
RIVER LAKE
--------- ---------
Water Depth (meters): 1 1
Wind Velocity (m/sec): 5 0.5
Current Velocity (m/sec): 1 0.05
HALF-LIFE (hours) : 152.1 1761
HALF-LIFE (days ) : 6.336 73.36
STP Fugacity Model: Predicted Fate in a Wastewater Treatment Facility
=============================================================
(using 10000 hr Bio P,A,S)
PROPERTIES OF: Carbamothioic acid, ethyl-, O-(1-methylethyl) ester
Molecular weight (g/mol) 147.24
Aqueous solubility (mg/l) 0
Vapour pressure (Pa) 0
(atm) 0
(mm Hg) 0
Henry 's law constant (Atm-m3/mol) 4.71E-006
Air-water partition coefficient 0.000192625
Octanol-water partition coefficient (Kow) 2089.3
Log Kow 3.32
Biomass to water partition coefficient 418.659
Temperature [deg C] 25
Biodeg rate constants (h^-1),half life in biomass (h) and in 2000 mg/L MLSS (h):
-Primary tank 0.00 4557.29 10000.00
-Aeration tank 0.00 4557.29 10000.00
-Settling tank 0.00 4557.29 10000.00
STP Overall Chemical Mass Balance:
---------------------------------
g/h mol/h percent
Influent 1.00E+001 6.8E-002 100.00
Primary sludge 4.85E-001 3.3E-003 4.85
Waste sludge 4.52E-001 3.1E-003 4.52
Primary volatilization 2.32E-003 1.6E-005 0.02
Settling volatilization 6.27E-003 4.3E-005 0.06
Aeration off gas 1.58E-002 1.1E-004 0.16
Primary biodegradation 2.97E-003 2.0E-005 0.03
Settling biodegradation 8.82E-004 6.0E-006 0.01
Aeration biodegradation 1.16E-002 7.9E-005 0.12
Final water effluent 9.02E+000 6.1E-002 90.23
Total removal 9.77E-001 6.6E-003 9.77
Total biodegradation 1.55E-002 1.1E-004 0.15
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