O-isobutyl ethylthiocarbamate

Endpoint summary

Description of key information

Physical and chemical properties

 

O-isobutyl ethylthiocarbamate (IBETC)

1.Appearance

O-isobutyl ethylthiocarbamate is colourless to straw oily liquid with characteristic odour, modetely soluble in water, very soluble in alcohol, ethyl ether, benzene and petroleum ether etc

 2.Odour

Characteristic

 

3.Melting point

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of -35  deg C (Weighted Value) was established.

 

4.Boiling point

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Boiling Point of 207.21  deg C (estimated)  was established.

 

5.Specific gravity

The relative density of O-isobutyl ethylthiocarbamate is 0.979  measured at  at 20 degree celcius.

 6.Vapour pressure

A QSAR method predicts the vapour pressure of this substance to be 33.5 Pa  at 25C.

 

7.Water solubility

Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be slightly soluble 37.72 mg/l ( 0.1-100 mg/l) with water.

 Substance is predicted by QSAR method (WATERNT(v.1.01)) to be moderately soluble ( 532.29 mg/l) with water.

 

8.Partition co-efficient

A reliable QSAR method predicts a value for the partition co-efficient (logKow) of 3.81  for this substance.

 

9.Hydrolysis as a function of pH

O-isobutyl ethylthiocarbamate.was hydrolytically stable (half life > 1 year) specified by the OECD Guidelines.Hydrolysis does not appear to be significant dissipation pathway for O-isobutyl ethylthiocarbamate.

 10.Adsorption/desorption

The log of the adsorption coefficient (KOC) of O-isobutyl ethylthiocarbamate was estimated to be log KOC = 2.1595 which is equal to a KOC value of 144.4 using the KOCWIN v2.00 QSARmethod.

This value indicates that O-isobutyl ethylthiocarbamate will be adsorbed by organic carbon in soil. O-isobutyl ethylthiocarbamate can be classified to be of very high mobility in soilaccording these results and does not have a high potential for adsorption to soil. O-isobutyl ethylthiocarbamate adsorbs strongly to sulphide minerals but has less affinity for surfaces in general. The KOC value of 144.4 also suggest this conclusion.

 

11.Dissociation constant

A dissociation constant value of >8.5 was obtained using an accepted calculation method. The result is considered to be reliable.

 

 12.Flammability

Flammability Justification For data Waiving (ECHA TGD ref 7.1.10)   Flammability is only relevant for gasses and solids. Since O-isobutyl ethylthiocarbamate is a liquid at room temperature and atmospheric pressure, a study on the flammability is not required.

  

13.Decomposition temperature

Not determined

 

14.Decomposition products

Carbon monoxide; cardon dioxide; oxides of nitrogen; oxides of sulphur (includes sulphur di and tri oxides)

 

15.Autoignition temperature

From the compositional description, the structural formula given, it can be concluded that it is not necessary to evaluate the ignition temperature of this substance by either the Self- or Auto-Ignition testing criteria indicated in the TGD.  There are no functional groups or other structural alerts present that indicate that this substance would spontaneously ignite  in air when exposed to a hot surface and thus should not be classified as dangerous with respect to this endpoint.  This empirical evaluation is furthermore confirmed by long term handling experience. The study is therefore considered scientifically unjustified. Therefore testing for Auto flammability does not need to be performed. 

 

16.Reactivity

Stable

 

17.Incompatible materials

Oxidising materials. The product is corrosive to copper and brass.

   

18.Oxidizing properties

This product no has oxidizing properties.

An oxidizing substance is one that, while in itself not necessarily combustible, may cause or contribute to the combustion of other material.

Oxidising substances generally act by yielding oxygen; however, those that release active halogens can also react as oxidants.

Due to the absence of chemical groups associated with oxidizing properties or other structural alerts this substance is not considered to exhibit oxidizing properties.

Therefore testing for oxidizing properties does not need to be performed.  

19.Explosivity

This product no has explosive properties.

 From the compositional description and the structural formula given, it can be concluded that this substanceO-isobutyl ethylthiocarbamatedoes not exhibit explosive properties (will not detonate or deflagrate, under conditions of excessive heating with or without confinement, impact, or friction to produce heat and or gas). There are no functional groups or other structural alerts associated with explosive properties or tendencies that would indicate that this substance will manifest explosive properties. Similarly, the calculated Oxygen Balance is less than -200 suggesting that testing need not be conducted and that a negative result can be predicted. Thus, this substance should not be classified as dangerous according to the criteria for explosivity, which is furthermore confirmed by long term handling experience.

 

20.Viscosity

The viscosity of the test substance was measured using a rotational spindle method at 20 degrees C. The viscosity of the test substance was <2.2 mPa · s .

21.Dissociation constant

A dissociation constant value of >8.5 was obtained using an accepted calculation method.

22.Flash point

A closed cup flash point value of 67.3ºC is reported in a collection of reliable data which has been subject to peer-review . The result is considered to be reliable.

Flash point of O-isobutyl ethylthiocarbamate is 67.3°C at atmospheric pressure.

 

Additional information