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Diss Factsheets
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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
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Endpoint summary
Administrative data
Description of key information
Additional information
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) of Isopropyl 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 that Isopropyl 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 this conclusion.
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
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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