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EC number: 212-480-0 | CAS number: 821-55-6
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation, Nonan-2-one was observed to be to be a Clear colourless liquid in appearance.
other supporting studies from various reliable sources such as authoritative database and handbooks suggests that the chemicalNonan-2-one was observed to be colorless to pale yellow liquid in appearance having aromaticfruity, floral, fatty, herbaceous odour.
Freezing point:
Based on available data from reliable sources such as authoritative database and handbook,the freezing point for chemical Nonan-2-one was determined to be -9 degree C.
Other supporting studies from various reliable sources such as authoritative database and handbook suggests that the freezing point of chemical Nonan-2-one was determined to be in the range of -21 degree C to -7.5 degree ,and the selected key study value lies in the range as mentioned above.
Boiling point:
The boiling point determination ofNonan-2-one(CAS No.821-55-6)was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 198°C at 981.7 hPa.
Density:
The density of test substanceNonan-2-one(CAS No. 821-55-6)was determined following OECD Guideline 109 and according to thefollowing OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]using glass pyknometer. The density of the test item was determined to be 0.8200 g/cm3at 20°Cand 981.8 hPa.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.The chemical Nonan-2-one is a liquid . Hence this end point was considered for waiver.
Vapour Pressure:
Data from handbooks and authoritative databases suggests that the experimental vapor pressure of nonan-2-one at 25°C was 0.624 mmHg = 83.2 Pa.
The calculated vapor pressure of nonan-2-one was 0.07504 mm Hg = 10 Pa at 8 deg C and 18316 mmHg = 2441985.185 Pa at 379.35 deg C.
The estimated vapor pressure of nonan-2-one at 25°C was 86.2 Pa.
The estimated and experimental values fall within the range of the calculated values.
Partition Coefficient:
Data from handbooks and authoritative databases suggests that the experimental octanol-water partition coefficient (Log Kow) of Nonan-2-one was 3.14
KOWWIN v1.68 was used to estimate the octanol- water partition coefficient of nonan-2-one. The estimated octanol-water partition coefficient (Log Kow) of Nonan-2-one was 2.71
The experimental and estimated values indicate that nonan-2 -one is hydrophillic in nature, which is also supported by its moderate solubility in water.
Water Solubility:
The experimental water solubility of nonan-2-one at 25°C was 371 mg/l
WSKOW v1.42 was used to estimate the water solubility of nonan-2-one. The estimated water solubility of nonan-2-one at 25°C was 170.6 mg/l.
The experimental and estimated values indicate that nonan-2 -one is moderately soluble in water.
Surface tension:
From the available ACD labs and Reaxy summary, the surface tension of nonan-2-one (821-55-6) was determined to be in range from 21.04dyne/cmto 28.16dyne/cm. As data from ACD labs has K2 reliability, has taken as key. So, from ACD labs, the surface tension of nonan-2-one (821-55-6) was determined to be 26.5± 3.0 dyne/cm.
Flash point:
The flash point determination of Nonan-2-one(CAS No. 821-55-6) 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 68 °C at 983.0 hPa.Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the Nonan-2-one(CAS No. 821-55-6) was considered to be non-flammable.
Autoflammability:
From the available gestis database, the auto-ignition temperature of Nonan-2-one is reported as 240°C
Flammability:
The study does not need to be conducted because the substance is a liquid, as the nonan-2-one has NFPA rating 2 and the flash point is 68 degree C which is high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this nonan-2-one was considered to be non-flammable.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.The chemical Nonan-2-one is a liquid . Hence this end point was considered for waiver.
Explosivenss;
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Nonan-2-one(CAS No. 821-55-6) was done following OECD guideline 122. pH of 1% w/v aqueous solution was measured with the help of pH meter and it was observed to be 4.57 at 23.8 °C. Based on the value it was considered that
Nonan-2-one(CAS No. 821-55-6) was acidic in nature.
Viscosity:
Kinematic viscosity (experimental) of Nonan-2 -one(CAS No. 821-55-6)at 20 °C and 40°C is 9.504 mm2/secand 9.319mm2/s respectively.
Dynamic viscosity (calculated) ofNonan-2-one(CAS No. 821-55-6)at 20 °C and 40°Cis7.793mPa.S and 7.641mPa.S, respectively.
Additional information
Appearance:
On the basis of physical observation, Nonan-2-one was observed to be to be a Clear colourless liquid in appearance.
other supporting studies from various reliable sources such as authoritative database and handbooks suggests that the chemicalNonan-2-one was observed to be colorless to pale yellow liquid in appearance having aromaticfruity, floral, fatty, herbaceous odour.
Freezing point:
Based on available data from reliable sources such as authoritative database and handbook,the freezing point for chemical Nonan-2-one was determined to be -9 degree C.
Other supporting studies from various reliable sources such as authoritative database and handbook suggests that the freezing point of chemical Nonan-2-one was determined to be in the range of -21 degree C to -7.5 degree ,and the selected key study value lies in the range as mentioned above.
Boiling point:
The boiling point determination ofNonan-2-one(CAS No.821-55-6)was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted in replicates and mean boiling point was determined to be 198°C at 981.7 hPa.
Other supporting studiesfrom various reliable sources such as handbook and authotative databases also suggests that the boiling point of chemical Nonan-2-one was reported to be in the range of 192 degree C to 196 degreeC.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of boiling point temperature as 198 degree C at 981.7 hPa, thus considered as key study for the chemical safety assessment.
Density:
The density of test substanceNonan-2-one(CAS No. 821-55-6)was determined following OECD Guideline 109 and according to thefollowing OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]using glass pyknometer. The density of the test item was determined to be 0.8200 g/cm3at 20°Cand 981.8 hPa.
Other supporting studies from various reliable sources such as authoritative database and handbooks suggests that the density of chemicalNonan-2-one was determined to be in the range of 0.817 g/cm3 to 0.832 g/cm3.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 0.82 g/cm3 at 20 degree C thus considered as key study for the chemical safety assessment.
Particle Size Distribution:
The study does not need to be conducted because the test chemical is marketed or used in a non- solid or granular form.The chemical Nonan-2-one is a liquid . Hence this end point was considered for waiver.
Vapour Pressure:
Data from handbooks and authoritative databases suggests that the experimental vapor pressure of nonan-2-one at 25°C was 0.624 mmHg = 83.2 Pa.
The calculated vapor pressure of nonan-2-one was 0.07504 mm Hg = 10 Pa at 8 deg C and 18316 mmHg = 2441985.185 Pa at 379.35 deg C.
The estimated vapor pressure of nonan-2-one at 25°C was 86.2 Pa.
The estimated and experimental values fall within the range of the calculated values.
Partition Coefficient:
Data from handbooks and authoritative databases suggests that the experimental octanol-water partition coefficient (Log Kow) of Nonan-2-one was 3.14
KOWWIN v1.68 was used to estimate the octanol- water partition coefficient of nonan-2-one. The estimated octanol-water partition coefficient (Log Kow) of Nonan-2-one was 2.71
The experimental and estimated values indicate that nonan-2 -one is hydrophillic in nature, which is also supported by its moderate solubility in water.
Water Solubility:
The experimental water solubility of nonan-2-one at 25°C was 371 mg/l
WSKOW v1.42 was used to estimate the water solubility of nonan-2-one. The estimated water solubility of nonan-2-one at 25°C was 170.6 mg/l.
The experimental and estimated values indicate that nonan-2 -one is moderately soluble in water.
Surface tension:
From the available ACD labs and Reaxy summary, the surface tension of nonan-2-one (821-55-6) was determined to be in range from 21.04dyne/cmto 28.16dyne/cm. As data from ACD labs has K2 reliability, has taken as key. So, from ACD labs, the surface tension of nonan-2-one (821-55-6) was determined to be 26.5± 3.0 dyne/cm.
Flash point:
The flash point determination of Nonan-2-one(CAS No. 821-55-6) 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 68 °C at 983.0 hPa.Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the Nonan-2-one(CAS No. 821-55-6) was considered to be non-flammable.
Autoflammability:
From the available gestis database, the auto-ignition temperature of Nonan-2-one is reported as 240°C
Flammability:
The study does not need to be conducted because the substance is a liquid, as the nonan-2-one has NFPA rating 2 and the flash point is 68 degree C which is high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this nonan-2-one was considered to be non-flammable.
Explosiveness:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Nonan-2-one(CAS No. 821-55-6) was done following OECD guideline 122. pH of 1% w/v aqueous solution was measured with the help of pH meter and it was observed to be 4.57 at 23.8 °C. Based on the value it was considered that
Nonan-2-one(CAS No. 821-55-6) was acidic in nature.
Viscosity:
Kinematic viscosity (experimental) of Nonan-2-one(CAS No. 821-55-6)at 20 °C and 40°C is 9.504 mm2/secand 9.319mm2/s respectively.
Dynamic viscosity (calculated) ofNonan-2-one(CAS No. 821-55-6)at 20 °C and 40°Cis7.793mPa.S and 7.641mPa.S, respectively.
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