Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance/physical state/colour:

The chemical chloral hydrate was observed to be a solid chemical in the form of white crystalline powder having a faint indistinguishable odour.

Melting point/freezing point:

The melting point determination of test substance 2, 2, 2-trichloroethane-1, 1-diol (CAS No. 302-17-0) was done as per the test guideline OECD 102. The method followed was according toCapillary/metal block. The mean melting point was found to be 55.3°C at 973.8hPa.

Boiling point:

The boiling point determination of test substance2,2,2-trichloroethane-1,1-diol(CAS No. 302-17-0) was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The mean boiling point was found to be 100.66°C at 973.8hPa.

Density:

The density of test substance 2,2,2-trichloroethane-1,1-diol (CAS No. 302-17-0 ) was determined following OECD guideline 109 according to pour and tap density method. The pour density and tapped density of the test substance was found to be0.9472 g/cm3and 0.9670 g/cm3at 28.9 °C and 974.5 hPa

Vapour pressure:

The vapour pressure of 2,2,2-Trichloroethane-1,1-diol is found to be 1999.83 Pa at 25 deg C.

Partition coefficient:

The partition coefficient of test substance CAS No. 302-17-0 was determined as per the shake flask method (OECD Guideline-107). The log Pow value was found to be 1.092 ± 0.212 @25 0C.

Water solubility:

The water solubility determination of test item CAS No: 302-17-0 was done by HPLC. The mean water solubility was found to be 443695.65 mg/l (443.695 g/l) @25°C indicating that the chemical is very soluble in water.

Solubility in organic solvents / fat solubility:

The solubility determination of test substance2,2,2–trichloroethane-1,1-diol(CAS No. 302-17-0) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone, acetonitrile, methanol, toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in ethanol was found to be in the range of 200 – 1000 g/l, respectively at 30 °C.

Surface tension:

This end point was considered for waiver since surface activity is not a desired property of the chemical. This is in accordance with Column 2 of Annex VII of the REACH regulation, which mentions that this study needs to be only conducted if surface activity is a desired property of the material.

Flash Point:

The flash point determination of test substance 2,2,2-trichloroethane-1,1-diol (CAS No. 302-17-0 ) was done. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The mean flashpoint of the test substance was found to be 75°C at 973.4 hPa.

Auto flammability:

This end point was considered for waiver since in accordance with Annex VII of the updated REACH regulation, the study need not be conducted for solids having a melting point ≤ 160 °C. 2, 2, 2-Trichloroethane-1, 1-diol  has a melting point ranging between 52 to 60°C. Thus, the chemical is likely to be not auto flammable.

Flammability:

This end point was considered for waiver since the NFPA hazard rating for the substance 2, 2, 2-Trichloroethane-1, 1-diol is 0 for health, flammability and reactivity. In addition, this chemical has a harmonized classification in which flammblity is not included. Hence the chemical is considered to be non-flammable.

Explosiveness:

This end point was considered for waiver since in accordance with column 2 of Annex VII of the REACH regulation, there are no chemical groups associated with explosive properties present in the molecule. Thus, 2, 2, 2-Trichloroethane-1, 1-diol is unlikely to exhibit explosive property.

Oxidising properties

This end point was considered for waiver since in accordance with column 2 of Annex VII, this study does not need to be conducted as the substance is incapable of reacting exothermically with combustible materials, on the basis of the chemical structure. The chemical contains halogen (chlorine) but it is not chemically bonded to nitrogen or oxygen. Thus, 2, 2, 2-Trichloroethane-1, 1-diol is not likely to exhibit oxidising properties.

pH:

The pH determination of test substance2,2,2-trichloroethane-1,1-diol(CAS No. 302-17-0) was done as per the test guideline OECD 122. The pH of the test solution was determined with the help ofpH meter. The pH was found to be 5.0 at 30.2 °C .

Additional information

Appearance/physical state/colour:

The chemical chloral hydrate was observed to be a solid chemical in the form of white crystalline powder having a faint indistinguishable odour.

Other supporting data also indicates the substance to be Organic solid in appearance.

Melting point/freezing point:

The melting point determination of test substance 2, 2, 2-trichloroethane-1, 1-diol (CAS No. 302-17-0) was done as per the test guideline OECD 102. The method followed was according toCapillary/metal block. The mean melting point was found to be 55.3°C at 973.8hPa.

Other supporting data from different sources also indicates the melting point of2,2,2-trichloroethane-1,1-diol to be in the range of 52 - 60°C.

Boiling point:

The boiling point determination of test substance2,2,2-trichloroethane-1,1-diol(CAS No. 302-17-0) was done as per the test guideline OECD 103. The method followed was according toSiwoloboff. The mean boiling point was found to be 100.66°C at 973.8hPa.

Other supporting data from different sources indicates the boiling point to be in the range of 96- 98 °C. It also indicated thatsubstance decomposes when heated beyond this temperature.

Density:

The density of test substance 2,2,2-trichloroethane-1,1-diol (CAS No. 302-17-0 ) was determined following OECD guideline 109 according to pour and tap density method. The pour density and tapped density of the test substance was found to be0.9472 g/cm3and 0.9670 g/cm3at 28.9 °C and 974.5 hPa

Vapour pressure:

The vapour pressure of 2,2,2-Trichloroethane-1,1-diol is found to be 1999.83 Pa at 25 deg C.

Partition coefficient:

The Solubility of 2,2,2-trichloroethane-1,1-diol(CAS No; 302-17-0) was determined in-house and it was found to be 443.695 g/l. For the Pow estimation, the different volumes of a stock solution (n-octanol pre saturated with water) were shaken with different volume of water pre saturated with n-octanol. After centrifugation, both the aqueous phase and octanol phase were analysed by HPLC. The partition coefficient were calculated, for the measured concentration of 2,2,2-trichloroethane-1,1-diol(CAS No. 302-17-0) in the organic and aqueous phases.The log Pow value was found to be 1.092 ± 0.212 @250C.

The key and supporting value indicates that the substance is hydrophilic in nature which is supported by it water solubility.

Water solubility:

The water solubility determination of test item 2,2,2-trichloroethane-1,1-diol (CAS No; 302-17-0) was done as per the HPLC method. The solubility of CAS No. 302-17-0 in water was found to be 443695.65 mg/L (443.695 g/l)@ 250C. This key study value and other suporting data from different source also indicates that the substance is very soluble in water.

Solubility in organic solvents / fat solubility:

The solubility determination of test substance2,2,2–trichloroethane-1,1-diol(CAS No. 302-17-0) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in acetone, acetonitrile, methanol, toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in ethanol was found to be in the range of 200 – 1000 g/l, respectively at 30 °C.

Surface tension:

This end point was considered for waiver since surface activity is not a desired property of the chemical. This is in accordance with Column 2 of Annex VII of the REACH regulation, which mentions that this study needs to be only conducted if surface activity is a desired property of the material.

Flash Point:

The flash point determination of test substance 2,2,2-trichloroethane-1,1-diol (CAS No. 302-17-0 ) was done. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The mean flashpoint of the test substance was found to be 75°C at 973.4 hPa.

Auto flammability:

This end point was considered for waiver since in accordance with Annex VII of the updated REACH regulation, the study need not be conducted for solids having a melting point ≤ 160 °C. 2, 2, 2-Trichloroethane-1, 1-diol  has a melting point ranging between 52 to 60°C. Thus, the chemical is likely to be not auto flammable.

Flammability:

This end point was considered for waiver since the NFPA hazard rating for the substance 2, 2, 2-Trichloroethane-1, 1-diol is 0 for health, flammability and reactivity. In addition, this chemical has a harmonized classification in which flammblity is not included. Hence the chemical is considered to be non-flammable.

Explosiveness:

This end point was considered for waiver since in accordance with column 2 of Annex VII of the REACH regulation, there are no chemical groups associated with explosive properties present in the molecule. Thus, 2, 2, 2-Trichloroethane-1, 1-diol is unlikely to exhibit explosive property.

Oxidising properties

This end point was considered for waiver since in accordance with column 2 of Annex VII, this study does not need to be conducted as the substance is incapable of reacting exothermically with combustible materials, on the basis of the chemical structure. The chemical contains halogen (chlorine) but it is not chemically bonded to nitrogen or oxygen. Thus, 2, 2, 2-Trichloroethane-1, 1-diol is not likely to exhibit oxidising properties.

pH:

The pH determination of test substance2,2,2-trichloroethane-1,1-diol(CAS No. 302-17-0) was done as per the test guideline OECD 122. The pH of the test solution was determined with the help ofpH meter. The pH was found to be 5.0 at 30.2 °C .

This key value and other supporting value indicates the substance to be acidic in nature.