Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance/physical state/colour:
On the basis of physical observation, the substance 1-methylpiperidin-4-ol was observed to be a colourless to pale yellow coloured liquid.

Freezing point:
The Mean Freezing point of 1-methylpiperidin-4-ol; CAS No. 106-52-5 was determined with Method according to Cooling Curve and it was found to be -11.24 °C at 970.2 hPa.

Boiling point:
The mean boiling point of 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined to be 199.3°C at 971.5 hPa.

Density:
The mean density of 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined to be 0.9775 g/cm³ at 20°C and 971.7 hPa.

Particle size distribution (Granulometry):
Accordance with REACH Chapter R.7A Endpoint Specific Guidance, specifically R.7.1.14.1 Information requirements on granulometry, the granulometry study does not need to be conducted as the test substance, 1-methylpiperidin-4-ol is marketed or used in a non solid or granular form. The test substance, 1-methylpiperidin-4-ol is a liquid at room temperature and as such this study is not technically feasible. Hence this endpoint was considered for waiver.

Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI SUITE. The estimated vapor pressure of 1-methyl-4-Piperidinol was 0.061 mm Hg = 8.13 Pa at 25°C.

Partition Coefficient:
The partition coefficient(n-octanol/water) of test substance 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 0.7556± 0.033 at 25°C.

Water Solubility:
The water solubility for the test item 1-methylpiperidin-4-ol was determined to be 105579.95 mg/L at 30°C.

Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, this end point was considered for waiver since surface activity is a not a desired property of the material as use in pharmaceutical industry.

Flash point:
The mean flash point of 1-methylpiperidin-4-ol (CAS No. 106-52-5) was determined to be 87.6°C at 971.0hPa.

Autoflammability:
1-methylpiperidin-4-ol did not catch fire on being exposed to air at room temperature of 27°C and pressure of 966 hPa. This indicates that 1-methylpiperidin-4-ol is not auto-flammable.

Flammability:
1-methylpiperidin-4-ol does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that 1-methylpiperidin-4-ol is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1-methylpiperidin-4-ol was considered non-flammable for chemical safety assessment.

Explosiveness:
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted since there are no chemical groups associated with explosive properties present in the molecule of 1-methylpiperidin-4-ol. Thus, the chemical is likely to be "Non explosive". Hence this end point was considered for waiver.

Oxidising properties:
In accordance with column 2 of Annex VII of the REACH regulation, the substance 1-methylpiperidin-4-ol is incapable of reacting exothermically with combustible materials on the basis of the chemical structure. It is an organic substance containing oxygen but no halogen atoms and these elements are not chemically bonded to nitrogen or oxygen. Thus, the chemical is likely to be "Non-oxidising".

pH:
The pH of 1% w/v solution of the test item 1-methylpiperidin-4-ol (CAS No106-52-5) was determined to be 10.34 at 30°C.

Viscosity:
Kinematic viscosity (experimental) of 1-methylpiperidin-4-ol (CAS No. 106-52-5)at 30°C and 50°C is determined to 44.3612mm²/sec and 38.1121mm²/s, respectively.

Dynamic viscosity (calculated) of 1-methylpiperidin-4-ol (CAS No. 106-52-5)at 30°C and 50°C is determined to be 44.5963mPa.S and 38.3140mPa.S, respectively.

Additional information

Appearance/physical state/colour:
On the basis of physical observation, the substance 1-methylpiperidin-4-ol was observed to be a colourless to pale yellow coloured liquid.

Other supporting data from safety data sheets by Sigma aldrich ,2014, and Fisher scientific ,2005 also indicates that the chemical 1-methylpiperidin-4-ol as clear light yellow colored liquid in appearance.

Freezing point:
The Freezing point determination of 1-methylpiperidin-4-ol (CAS No.106-52-5) was done using crushed ice and salt. The determination was done on the basis of cooling curve (time vs. temperature) obtained when the test item was placed in the cooling bath. The freezing point was determined to be -11.24°C at 970.2 hPa.

Based on other supporting data from safety data sheets and authoritative database, the freezing point of chemical 1-methylpiperidin-4-ol is determined to be in the range of 26°C to 31°C. As the data from lab has K1 reliability and the test was performed using standard methods of analysis which has the value of freezing point as -11.24°C, thus considered as key study for the chemical safety assessment.

Boiling point:
The boiling point determination of Test item 1-methylpiperidin-4-ol (CAS No. 106-52-5 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The mean boiling point was determined to be 199.3°C at 971.5 hPa.

Other supporting studies from various authoritative database and safety data sheets, also indicates that the boiling point of chemical lies in the range of 186.4 - 200°C and the selected  key study value 199.3°C lies between the range as mentioned above.

Density:
The density of test item 1-methylpiperidin-4-ol (CAS No. 106-52-5)was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using glass pycnometer. The mean density of test item was determined to be 0.9775 g/cm³ at 20°C and 971.7 hPa.

Other supporting data from chemspider, 2012 and safety data sheet by sigma aldrich 2014, also indicates the density of chemical 1-methylpiperidin-4-ol to be 0.98 g/cm3.

Particle size distribution (Granulometry):
Accordance with REACH Chapter R.7A Endpoint Specific Guidance, specifically R.7.1.14.1 Information requirements on granulometry, the granulometry study does not need to be conducted as the test substance, 1-methylpiperidin-4-ol is marketed or used in a non solid or granular form. The test substance, 1-methylpiperidin-4-ol is a liquid at room temperature and as such this study is not technically feasible. Hence this endpoint was considered for waiver.

Vapour pressure:
Modified Grain method was used to estimate the vapour pressure of the test chemical using MPBPVP v1.43 of EPI SUITE. The estimated vapor pressure of 1-methyl-4-Piperidinol was 0.061 mm Hg = 8.13 Pa at 25°C.

Partition Coefficient:

The partition Coefficient n-octanol/water of 1-methylpiperidin-4-ol (CAS No.106-52-5) was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional similarity with the test substance and calibration graph was prepared. The reference substances were Benzene, Biphenyl, Methyl benzoate, Benzyl Benzoate, 1,2,4-Trichlorobenzene, Chlorobenzene, Bromobenzene, Nitrobenzene, Dodecanoic acid, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene, Diphenyl ether, Allyl phenyl ether having Pow value ranging from 1.9 to 4.6. The Log Pow value was found to be 0.7556± 0.033 at 25°C.

Other supporting information from various databases, suggests that the estimated log Pow of 1-methylpiperidin-4-ol was -0.14. Based on these values, it can be concluded that the test chemical,1-methylpiperidin-4-ol is hydrophillic in nature.

Water Solubility:
The water solubility determination of test item 1-methylpiperidin-4-ol (CAS No. 106-52-5) was done as per the OECD guideline 105 by spectrophotometric analytical method. The solubility of (1-methylpiperidin-4-ol of 106-52-5) in water was determined to be 105579.95 mg/L at 30°C.

Other supporting datafrom various estimation models also suggests the estimated water solubility of 1 -methyl-4 -piperidinol was 1000000 mg/l at 25 deg C . Based on these values, 1-methylpiperidin-4-ol can be considered to be highly soluble in water.

Surface tension:
In accordance with column 2 of Annex VII of the REACH regulation, this end point was considered for waiver since surface activity is a not a desired property of the material as use in pharmaceutical industry.

Flash point:
The flash point determination of 1-methylpiperidin-4-ol (CAS No. 106-52-5) was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 87.6°C at 971.0hPa.
As per the other supporting data for flash point from MSDS and authoritative databases, the flash point value determined was in range from 87°C to 112°C and the selected
 key study value 87.6°C lies between the range as mentioned above. Also based on criteria mentioned in CLP regulation the substance 1-methylpiperidin-4-ol was considered to be non flammable.

Autoflammability:
1-methylpiperidin-4-ol did not catch fire on being exposed to air at room temperature of 27°C and pressure of 966 hPa. This indicates that 1-methylpiperidin-4-ol is not auto-flammable.

Flammability:
1-methylpiperidin-4-ol does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that 1-methylpiperidin-4-ol is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1-methylpiperidin-4-ol was considered non-flammable for chemical safety assessment.

Explosiveness:
In accordance with column 2 of Annex VII of the REACH regulation, the study does not need to be conducted since there are no chemical groups associated with explosive properties present in the molecule of 1-methylpiperidin-4-ol. Thus, the chemical is likely to be "Non explosive". Hence this end point was considered for waiver.

Oxidising properties:
In accordance with column 2 of Annex VII of the REACH regulation, the substance 1-methylpiperidin-4-ol is incapable of reacting exothermically with combustible materials on the basis of the chemical structure. It is an organic substance containing oxygen but no halogen atoms and these elements are not chemically bonded to nitrogen or oxygen. Thus, the chemical is likely to be "Non-oxidising".

pH:
The pH determination of test item 1-methylpiperidin-4-ol (CAS No 106-52-5) was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 10.34 at 30°C.

Viscosity:
The viscosity determination of Test item 1-methylpiperidin-4-ol (CAS No. 106-52-5 ) was done as per the test guideline OECD 114 using Redwood Viscometer No. 1. Kinematic viscosity (experimental) of Test item at 30°C and 50°C is 44.3612 mm²/sec and 38.1121 mm²/s, respectively. Dynamic viscosity (calculated) of Test item at 30°C and 50°C is 44.5963 mPa.S and 38.3140 mPa.S, respectively.