Phthalic acid Phthalic acid is used mainly in the form of the anhydride to produce other chemicals such as dyes, perfumes, saccharin, phthalates and many others. According to the Directive 67/548/EEC, this chemical is not classified. Nevertheless in one of the available MSDS related to phthalic acid, irritant to the eyes, respiratory or skin classification with the risk phrases (R36, R37 and R38) were found. Its PBT status is unknown. An assessment of the PBT status of Phthalic acid using the algorithm described in the toolbox is explained below step by step. Step1: Substance identification Identifiers on phthalic acid have been obtained from the most recent reliable sources (www.chemfinder.com and chemID plus ) which are listed in step1 . The smiles notation for phthalic acid was obtained from both chemspider and chemIDplus sources. These identifiers are shown in Table1 below. Identifier of Phthalic acid EINECS or ELINCS number 201-873-2 CAS name and CAS number 88-99-3 Name(s) in the IUPAC nomenclature or other international chemical name(s) 1,2-Benzenedicarboxylic acid Other names (usual name, trade name, abbreviation) o-benzenedicarboxylic acid; o- Dicarboxybenzene; o-Phthalic Acid; benzene-1,2-dicarboxylic acid; Phthalic acid; sunftal 20 Information related to molecular and structural formula of Phthalic acid Molecular Formula C 8 H 6 O 4 Structural formula OH O O O H Smiles Notation O=C(O)c1ccccc1C(=O)O Table1: Phthalic acid identification parameters. - 1-
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Step1: Substance identification Identifier of Phthalic acid
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Phthalic acid
Phthalic acid is used mainly in the form of the anhydride to produce other chemicals
such as dyes, perfumes, saccharin, phthalates and many others. According to the
Directive 67/548/EEC, this chemical is not classified. Nevertheless in one of the
available MSDS related to phthalic acid, irritant to the eyes, respiratory or skin
classification with the risk phrases (R36, R37 and R38) were found. Its PBT status is
unknown. An assessment of the PBT status of Phthalic acid using the algorithm
described in the toolbox is explained below step by step.
Step1: Substance identification
Identifiers on phthalic acid have been obtained from the most recent reliable sources
(www.chemfinder.com and chemID plus) which are listed in step1. The smiles
notation for phthalic acid was obtained from both chemspider and chemIDplus
sources. These identifiers are shown in Table1 below.
Identifier of Phthalic acid
EINECS or ELINCS number 201-873-2
CAS name and CAS number 88-99-3
Name(s) in the IUPAC nomenclature orother international chemical name(s)
octanol/water, Soil Adsorption Coefficient (Koc/Kd), and Henry's Law
Constant)
Degradation, (biodegradation, half lives)
Accumulation (BCF)
Environmental Partitioning (MacKay)
Ecotoxicity data of the substance (LC50, NOEC)
Step3: Collecting the available information and identifying the data gap
1- Information on the physical-chemical properties for Phthalic acid
The following table provides a summary of the
1. Chemical and physical properties required for the assessment as explained in
the algorithm.
2. The available chemical and physical properties of Phthalic acid along with the
source for these data. As explained in the algorithm, in this step you have to
make sure that the data studies were conducted according to EU-approved
methods (e.g. those specified in Annexes V and VIII of Directive 67/548/EEC,
or REACH Annex X methods) and in compliance with the principles of GLP.
This only applies for degradation, accumulation and ecotoxicity studies not for
the physical-chemical one. No IUCLID found for phthalic acid.
3. The data gap which is highlighted as red in the table.
Required Property Value Source
Water solubility 7010 mg/l at 25°<0.1 g/100 mL at 20 C
ChemIDplus-Chemfinder
Partition coefficient n-octanol/water
Log Kow = 0.73 (EXP) ChemIDplus
Soil AdsorptionCoefficient (Koc/Kd)
The Koc values were determinedfor an acidic forest soil (Podzol,4.85% organic carbon, pH 2.8), anagricultural soil (Alfisol, 1.25%organic carbon, pH 6.7) and a
Von Oepen B et al;Chemosphere 22: 285-304(1991)
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sublimnic soil (sediment fromLake Constance, Germany, 1.58%organic carbon, pH 7.1) as 31, 2and 2, respectively. According toa classification scheme(2), theseKoc values suggest that phthalicacid is expected to have very highmobility in soil.
Henry's Law Constant No experimentally determinedHenry’s law constant informationis available only calculated.2.18E-12 atm m3/mol (EST)
Table2: Physical chemical data available for Phthalic acid.
2- Accumulation data of Phthalic acid
According to HSDB result (Hazardous substances data bank, this can be accessed via
Toxnet), bioaccumulation of phthalic acid was studied in crops. The study showed
that the potential of phthalic to accumulate in crops is rather low. In addition, an
estimated BCF of 3 was reported for phthalic acid in this report. These values are
considered to give sufficient evidence on a very low bioaccumulation of Phthalic acid.
3- Degradation data of Phthalic acid
The following table provides a summary of the
1. Degradation properties required for the assessment as explained in the
algorithm.
2. The available degradation data of Phthalic acid along with the source for these
data. As explained in the algorithm, the data should be reliable.
3. The data gap which is highlighted as red in the table.
Required Property Value Source
Biodegradation On the basis of the available data,Phthalic acid is considered to bereadily biodegradable under bothaerobic and anaerobic conditions.(study conducted according toOECD TG 301C guideline)
HSDB (references of thestudies are listed in thereport)
Half lives-t1/2
1-Hydrolysis as afunction of Ph
No experimental aquaticdegradation data are available forPhthalic acid.
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2-Photolysis(Atmospheric OH RateConstant)
No experimental data areavailable for Phthalic acid onlycalculated oneRate Cons = 1.24E-12cm3/molecule-secc
ChemIDplus andHSDB
Table3: Degradation data available for Phthalic acid.
4- Environmental Partitioning (MacKay)
No data found.
5- Aquatic toxicity information of Phthalic acid
The results of ecotoxicity tests carried out with Phthalic acid on fish and other
specious have been cited in the ECOTOX database:
http://cfpub.epa.gov/ecotox/quick_query.htm. The data are summarised below in
Table 4.
Required Property Value Source
FishAcute toxicity to fish (96hrs LC50)mg/l
LC50(48h) > 1000000 ug/L ECOTOX
Long term toxicity to fish (28daysNOEC) mg/l
No data available
DaphniaAcute toxicity to Daphnia (48hrsEC50) mg/l
No data available
Long term toxicity to Daphnia(21days NOEC) mg/l
No data available
AlgaeAcute toxicity to algae (72hrsEC50) mg/l
No data available
Table4: Aquatic toxicity data available for Phthalic acid.
Step 4: Filling the data gap by using QSAR
In this step the above endpoints (both the available and not) will be predicted using
QSARs tools and software listed in step 4 of the algorithm (EPIWIN, Danish(Q)SAR