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EC number: 203-166-4 | CAS number: 104-01-8
Endpoint summary
Administrative data
Description of key information
Appearance
On the basis of visual perceptual/olfactoy factory,the chemical 4-methoxyphenylacetic acid was light yellow colored crystalline powder in appearance.
Melting point
The melting point determination of 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be in the range of 85.2 °C-90.2°C at 977.2hPa.
Boiling point
The boiling point determination of 4-methoxyphenylacetic acid (CAS No. 104-01-8) 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 237.6°C at 977.5 hPa.
Density
The density of 4-methoxyphenylacetic acid (CAS No. 104-01-8) was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using glass pyknometer. The mean density of chemical 4-methoxyphenylacetic acid was determined to be 1.193 g/cm³at 20°C and 977.7hPa.
Particle Size Distribution
The particle size distribution of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8 ) was determined by granulometric analysis with rotap sieve shaker. The particle sizedistribution was determined to be in the range of 150 micron to 106 micron.
Vapour Pressure
MPBPVP v1.43 was used to estimate the vapour pressure of the 4-methoxyphenylacetic acid. The estimated vapour pressure of 4 -methoxxyphenylacetic acid at 25deg C was 0.0713 Pa.
Partition Coefficient
The partition coefficient(n-octanol/water) of test substance 4-methoxyphenylacetic acid (CAS No. 104-01-8) was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 1.2952 ± 0.0045 at 25°C.
Water Solubility
The water solubility determination of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-methoxyphenylacetic acid (CAS No: 104 -01 -8) in water was determined to be 3745.6 mg/L at 28°C.
Surface tension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6,this end point was considered for waiver since surface activity was not a desired property of4-methoxyphenylacetic acid.
Flash point
The flash point determination of 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done by laboratory following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 191.6°C at 977.6hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the 4-methoxyphenylacetic acid (CAS No. 104-01 -8) was considered to be non-flammable.
Auto flammability
The study does not need to be conducted because the 4-methoxyphenylacetic acid (CAS No. 104-01-8) has melting point 85.2 °C-90.2°C which was less than 160 degree C. Therefore this end point considered for waiver.
Flammability
The study does not need to be conducted because the substance is a solid, as the 4-methoxyphenylacetic acid has NFPA rating 0 and the flash point is 191.6 degree C which is very 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 4-methoxyphenylacetic acid was considered to be non-flammable supported by low NFPA rating.
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 4-methoxyphenylacetic acid (CAS No 104-01-8) was done following OECD guideline122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 2.83 at 27 °C. Based on the result, 4-methoxyphenylacetic acid (CAS No 104-01-8) was considered to be acidic in nature.
Viscosity
The study does not need to be conducted because the substance is a solid.
Additional information
Appearance
On the basis of visual perceptual/olfactoy factory,the chemical 4-methoxyphenylacetic acid was light yellow coloured crystalline powder in appearance.
Other supportig studies from various reliable sources such as authoritative database and handbooks also suggests that the chemical 4-methoxyphenylacetic acid was pale yellow or off white colored solid flakes in appearance.
Melting point
The melting point determination of 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was determined to be in the range of 85.2 °C-90.2°C at 977.2hPa.
Other supporting studies from various reliable sources such as authoritative database and handbooks,the melting point of chemical4-methoxyphenyl)acetic acid was reported to be in the range of 84 degree C to 88 degree C.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of melting point temperature in the range of 85.2 °C-90.2°C at 977.2hP, thus considered as key study for the chemical safety assessment.
Boiling point
The boiling point determination of 4-methoxyphenylacetic acid (CAS No. 104-01-8) 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 237.6°C at 977.5 hPa.
Other supporting studies from various reliable sources such as authoritative database and handbooks,the boiling point of chemical4-methoxyphenyl)acetic acid was reported to be 103 degree C and 104 degree C at 2 mm Hg and 3 mm Hg pressure respectively.
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 237.6°C at 977.5 hPa pressure,thus considered as key study for the chemical safety assessment.
Density
The density of 4-methoxyphenylacetic acid (CAS No. 104-01-8) was determined following OECD Guideline 109 and according to the Adapted from ASTM D854-02 using glass pyknometer. The mean density of chemical 4-methoxyphenylacetic acid was determined to be 1.193 g/cm³ at 20°C and 977.7hPa.
Other supporting study from authoritative database also suggests that, the density of chemical4-methoxyphenyl)acetic acidwas reported to be 1.179 g/cm3 at a temperature of 20 °C and pressure 760 Torr.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 1.193 g/cm3 at 20 degree C, thus considered as key study for the chemical safety assessment.
Particle Size Distribution
The particle size distribution of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8 ) was determined by granulometric analysis with rotap sieve shaker. The particle sizedistribution was determined to be in the range of 150 micron to 106 micron.
Vapour Pressure
MPBPVP v1.43 was used to estimate the vapour pressure of the 4-methoxyphenylacetic acid. The estimated vapour pressure of 4 -methoxxyphenylacetic acid at 25deg C was 0.0713 Pa.
Partition Coefficient
The partition Coefficient n-octanol/water of 4-methoxyphenylacetic acid(CAS No.104-01-8) 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 group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, 4-acetylpyridine, phenoxyacetic acid, dodecanoic acid, toluene, ethylbenzene, n-butylbenzene, naphthalene and allyl phenyl ether having Pow value ranging from 0.5 to 4.6. The Log Pow value was found to be 1.2952 ± 0.0045 at 25°C. Based on this value, it can be concluded that 4 -methoxyphenylacetic acid is hydrophillic in nature.
Other supporting studies from handbooks and authoritative databases suggests that the experimental octanol-water partition coefficient of 4-methoxy phenylacetic acid was determined to be 1.42.
KOWWIN v1.68 was used to estimate the octanol-water partition coefficient of 4-Methoxy phenylaceticacid. The estimated octanol water partition coefficient of 4-methoxyphenylacetic acid was 1.51.
Based on the experimental and estimated values, 4 -methoxyphenylacetic acid can be considered hydrophillic in nature which is also supported by its water solubility.
As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of Log Pow as 1.2952 ± 0.0045 at 25°C, indicating that 4 -methoxyphenylacetic acid is hydrophillic in nature., thus considered as key study for the chemical safety assessment.
Water Solubility
The water solubility determination of test item 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-methoxyphenylacetic acid (CAS No: 104 -01 -8) in water was determined to be 3745.6 mg/L at 28°C.
Data from various modelling databases suggests that the estimated water solubility of 4-methoxyphenyl acetic acid at 25 deg C was 9753 mg/l.
Also data from handbooks and authoritative databases suggests that 4 -methoxyphenyl acetic acid is soluble in water.
Based on the values from the experimental and estimated data, 4 -methoxyphenylacetic acid can be considered to be soluble in water.
Surface tension
In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6,this end point was considered for waiver since surface activity was not a desired property of4-methoxyphenylacetic acid.
Flash point
The flash point determination of 4-methoxyphenylacetic acid (CAS No. 104-01-8) was done by laboratory following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was found to be 191.6°C at 977.6hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the 4-methoxyphenylacetic acid (CAS No. 104-01 -8) was considered to be non-flammable.
Auto flammability
The study does not need to be conducted because the 4-methoxyphenylacetic acid (CAS No. 104-01-8) has melting point 85.2 °C-90.2°C degree C which was less than 160 degree C. Therefore this end point considered for waiver.
Flammability
The study does not need to be conducted because the substance is a solid, as the 4-methoxyphenylacetic acid has NFPA rating 0 and the flash point is 191.6 degree C which is very 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 4-methoxyphenylacetic acid was considered to be non-flammable supported by low NFPA rating.
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 4-methoxyphenylacetic acid (CAS No 104-01-8) was done following OECD guideline122. pH of 1% w/v dispersion was measured with the help of pH meter and it was observed to be 2.83 at 27 °C.Based on the result,4-methoxyphenylacetic acid (CAS No 104-01-8) was considered to be acidic in nature.
Viscosity
The study does not need to be conducted because the substance is a solid.
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