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EC number: 272-028-3 | CAS number: 68649-42-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
Description of key information
Skin irritation:
The dermal irritation potential of Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)was estimated to be irritating into the skin of New Zealand White rabbits. Based on the estimated result Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3) can be considered to be irritating to skin and can be classified under the category ˋ“Category 2” as per CLP regulation.
Eye irritation:
An ocular irritation test was conducuted on rabbits to assess the eye irritation potential of chemical Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No:68649-42-3) in accordance with OECD Guide–line 405 "Acute Eye Irritation/Corrosion".The undiluted Dialkyl(C1-C14)dithiophosphoric acid, zinc saltwas administered to group of 6 rabbits and then eyes were observed at 24, 48, and 72 hours following treatment. The ocular lesions were scored according to the Draize scale. Since the undiluted Dialkyl(C1-C14)dithiophosphoric acid, zinc saltmet the Annex VI (R36) criteria forIrritation, the chemical material Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No:68649-42-3) was considered to be irritating to the eyes of rabbits. Based on the estimated result Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)can be considered to be irritating to eye and can be classified under the category ˋ“Category 2” as per CLP regulation.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR toolbox version 3.3 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Dialkyl(C1-C14)dithiophosphoric acid, zinc salt
- Common name: Phosphorodithioic acid, O,O–di–C1–14–alkyl esters, zinc salts
- Molecular formula: C28H60O4P2S4Zn
- Molecular weight: 716.38 g/mol
- Smiles notation: [Zn+2].CCCCCCCOP(=S)([S-])OCCCCCCC.CCCCCCCOP(=S)([S-])OCCCCCCC
- InChl: 1S/2C14H31O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,18,19);/q;;+2/p-2
- Substance type: Organic
- Physical state: liquid - Species:
- rabbit
- Strain:
- New Zealand White
- Details on test animals or test system and environmental conditions:
- No data available
- Type of coverage:
- occlusive
- Preparation of test site:
- abraded
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- No data available
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 14 days
- Number of animals:
- No data available
- Details on study design:
- No data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 14 d
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- positive skin reactions were observed.
- Interpretation of results:
- Category 2 (irritant) based on GHS criteria
- Conclusions:
- The substance Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)was estimated to be irritating into the skin of New Zealand White rabbits. Based on the estimated result Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)can be considered to be irritating to skin.
- Executive summary:
The dermal irritation potential of Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The substance Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)was estimated to be irritating into the skin of New Zealand White rabbits. Based on the estimated result Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)can be considered to be irritating to skin and can be classified under the category ˋ“Category 2” as per CLP regulation.
Reference
Estimation
method: Takes mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((((("a"
or "b" or "c" or "d" or "e" or "f" )
and ("g"
and (
not "h")
)
)
and "i" )
and "j" )
and "k" )
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and ("v"
and (
not "w")
)
)
and ("x"
and (
not "y")
)
)
and ("z"
and (
not "aa")
)
)
and ("ab"
and "ac" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Zinc metal and salts by OECD HPV
Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Soluble complexes of Zinc by
US-EPA New Chemical Categories
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Thiophosphate by
Organic Functional groups
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Overlapping groups
AND Thiophosphate by Organic Functional groups (nested)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Miscellaneous
sulfide (=S) or oxide (=O) AND Phosphite, aliphatic attach [-O-P] AND
Sulfur, phosphorus attach [-S-] AND Thio-phosphorus [S=P] AND Zinc [Zn]
by Organic functional groups (US EPA)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Anion AND Cation by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> Polarised
Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated amides OR Michael
addition >> Polarised Alkenes-Michael addition >> Alpha, beta-
unsaturated esters OR Schiff base formers OR Schiff base formers >>
Chemicals Activated by P450 to Glyoxal OR Schiff base formers >>
Chemicals Activated by P450 to Glyoxal >> Ethylenediamines (including
piperazine) OR SN1 OR SN1 >> Carbenium Ion Formation OR SN1 >> Carbenium
Ion Formation >> Allyl benzenes OR SN1 >> Iminium Ion Formation OR SN1
>> Iminium Ion Formation >> Aliphatic tertiary amines OR SN1 >>
Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >> Aromatic
azo OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1 >>
Nitrenium Ion formation >> Aromatic phenylureas OR SN1 >> Nitrenium Ion
formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >>
Tertiary aromatic amine OR SN1 >> Nitrenium Ion formation >> Unsaturated
heterocyclic azo OR SN2 OR SN2 >> Direct Acting Epoxides and related OR
SN2 >> Direct Acting Epoxides and related >> Epoxides OR SN2 >>
Episulfonium Ion Formation OR SN2 >> Episulfonium Ion Formation >>
Mustards OR SN2 >> SN2 at an sp3 Carbon atom OR SN2 >> SN2 at an sp3
Carbon atom >> Aliphatic halides OR SN2 >> SN2 at an sp3 Carbon atom >>
Phosphates by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "k"
Similarity
boundary:Target:
CCCCCCCOP(=S)(OCCCCCCC)S{-}.[Zn]{2+}.S{-}P(=S)(OCCCCCCC)OCCCCCCC
Threshold=10%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Valproic acid (Hepatotoxicity)
Alert by Repeated dose (HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Overlapping groups
AND Thiophosphate by Organic Functional groups (nested)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Alkene OR Alkenyl halide by
Organic Functional groups (nested)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Overlapping groups
AND Thiophosphate by Organic Functional groups (nested)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Acetal OR Aliphatic Amine,
primary by Organic Functional groups (nested)
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Overlapping groups
AND Thiophosphate by Organic Functional groups (nested)
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Allyl by Organic Functional
groups (nested)
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Overlapping groups
AND Thiophosphate by Organic Functional groups (nested)
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Dihydroxyl group by Organic
Functional groups (nested)
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Overlapping groups
AND Thiophosphate by Organic Functional groups (nested)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Phenol by Organic Functional
groups (nested)
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Overlapping groups
AND Thiophosphate by Organic Functional groups (nested)
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Phosphate ester by Organic
Functional groups (nested)
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Miscellaneous
sulfide (=S) or oxide (=O) AND Phosphite, aliphatic attach [-O-P] AND
Sulfur, phosphorus attach [-S-] AND Thio-phosphorus [S=P] AND Zinc [Zn]
by Organic functional groups (US EPA)
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Nitrogen, single bonds [N{v+5}]
by Organic functional groups (US EPA)
Domain
logical expression index: "ab"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 8.85
Domain
logical expression index: "ac"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 23.3
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Justification for type of information:
- Data is from safety assessment report
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 405 (Acute Eye Irritation / Corrosion)
- Principles of method if other than guideline:
- An ocular irritation test was conducuted on rabbits to assess the eye irritation potential of chemical Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3) in accordance with OECD Guide–line 405 "Acute Eye Irritation/Corrosion".
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Dialkyl(C1-C14)dithiophosphoric acid, zinc salt
- Common name: Phosphorodithioic acid, O,O–di–C1–14–alkyl esters, zinc salts
- Molecular formula: C28H60O4P2S4Zn
- Molecular weight: 716.38 g/mol
- Smiles notation: [Zn+2].CCCCCCCOP(=S)([S-])OCCCCCCC.CCCCCCCOP(=S)([S-])OCCCCCCC
- InChl: 1S/2C14H31O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17(18,19)16-14-12-10-8-6-4-2;/h2*3-14H2,1-2H3,(H,18,19);/q;;+2/p-2
- Substance type: Organic
- Physical state: liquid - Species:
- rabbit
- Strain:
- not specified
- Details on test animals or tissues and environmental conditions:
- No data available
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Amount / concentration applied:
- 100%
- Duration of treatment / exposure:
- 72 hours
- Observation period (in vivo):
- 24, 48, and 72 hours
- Number of animals or in vitro replicates:
- 6
- Details on study design:
- SCORING SYSTEM: according to the Draize scale.
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- positive indication of irritation
- Irritant / corrosive response data:
- The undiluted material met the Annex VI (R36) criteria for irritation.
- Interpretation of results:
- Category 2 (irritating to eyes) based on GHS criteria
- Conclusions:
- The test material Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3) was considered to be irritating to the eyes of rabbits.
- Executive summary:
An ocular irritation test was conducuted on rabbits to assess the eye irritation potential of chemical Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No:68649-42-3) in accordance with OECD Guide–line 405 "Acute Eye Irritation/Corrosion".
The undilutedDialkyl(C1-C14)dithiophosphoric acid, zinc saltwas administered to group of 6 rabbits and then eyes were observed at 24, 48, and 72 hours following treatment. The ocular lesions were scored according to the Draize scale.
Since the undilutedDialkyl(C1-C14)dithiophosphoric acid, zinc saltmet the Annex VI (R36) criteria for
Irritation, the chemical materialDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No:68649-42-3) was considered to be irritating to the eyes of rabbits
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemicalDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)to observe the potential for skin irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemicalDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)and its structurally similar read across substancesCetrimonium chloride(CAS No:112-02-7) and Stearalkonium chloride (CAS No:122-19-0).The predicted data using the OECD QSAR toolboxdatabasehas also been compared with the experimental data and summarized as below;
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the dermal irritation potential was estimated for test chemicalDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3) .The chemical Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3) was estimated to be irritating to skin of New Zealand White rabbits.
The Cosmetic Ingredient Review (CIR) Expert Panel(1997) conducted the primary skin irritation study on male albino rabbits of the SPF- Russian strain in order to evaluate the dermal irritation potential ofstructurally similar read across substanceCetrimonium chloride(CAS No:112-02-7). About 500mg ofCetrimonium chloride was applied onto the intact and abraded skin of each rabbit (6 rabbits/ group) at concentration of0.1%, 0.5%, 1.2% and 2.5%for the exposure period of 24 hours. The untreated sites were served as control.All the sites were rinsed after 24 hours and scores again at 24 and 48 hours. Since the chemical cause skin lesions, the chemical Cetrimonium chloride(CAS No:112-02-7) was considered to be irritating to the skin of SPF- Russian rabbits.
The above results were further supported by theprimary dermal irritationstudy conducted by Cosmetic Ingredient Review (CIR) Expert Panel(1990) for structurally similar read across substanceStearalkonium chloride (CAS No:122-19-0) on rabbitsaccording to Draize method. Adult rabbits were used for the study. 0.5 ml of 25%, 2.5%, and 1.25% solutions of the test chemical was applied to clipped areas of intact and abraded rabbit skin. The treated areas were covered with gauze and wrapped to keep the test material in contact with the skin and to decrease the rate of vaporization. The wrapping and test material were removed 24 hours following application. The sites were examined and scored separately for erythema and edema at 24 and 72 hours. Primary dermal irritation indices were calculated according to the Draize procedure for 25%, 2.5%, and 1.25% concentrations of the material. The mean scores for 24- and 72-hour readings were averaged to determine the irritation index. Primary irritation indices were calculated to be 6.0, 2.4, and 1.0 for the 25%, 1.25%, and 2.5% solutions, respectively.Based on the primary irritation indices, Stearalkonium Chloride(CAS No:122-19-0)can be considered as mild irritant to skin.
Based on the available data for the target as well as it read across substances and applying the weight of evidence approach, it can be concluded that Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)was irritating to skin. Comparing the above annotations with the criteria of CLP regulation, Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)can be classified under the category “Category 2”.
Eye Irritation:
In different studies, Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)has been investigated for potential for ocular irritation to a greater or lesser extent.The studies are based on in vivo experiments in rabbits for target chemicalDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)and its structurally similar read across substancesHexadecyltrimethylammonium bromide(CAS No:57-09-0)andStearyltrimethylammonium chloride(CAS No:112-03-8).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
The EUROPEAN COMMISSION – European Chemicals Bureau (2000) conductedan ocular irritation test of target chemical Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No:68649-42-3) on rabbits at different concentrations in accordance with OECD Guide–line 405 "Acute Eye Irritation/Corrosion". The undiluted test article and a 6.25% w/w dilution in mineral oil were administered to separate groups of 6 rabbits. Dilutions of 25% and 12.5% w/w in mineral oil were administered to one rabbit each. Eyes were observed at 24, 48, and 72 hours following treatment. Eyes were scored according to the Draize scale. The undiluted material, as well as the 50% and 25% dilutions met the Annex VI (R36) criteria for irritation. The 12% and lower concentrations were not irritating by the Annex VI (R36) criteria. Thusthe chemical materialDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No:68649-42-3) was considered to be not irritating to the eyes of rabbits at 12% and lower concentrations and irritating when applied undiluted as well as at the 50% and 25%in mineral oilby the Annex VI (R36) criteria.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the eye irritation potential was estimated for test chemicalDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3) .The chemical Allyl butyrate (CAS No: 2051-78-7)is estimated to be irritating to eye of New Zealand White rabbits.
The above results were supported by the experimental study conducted by P. GAUTHERON, J. GIROUX, M. COTTIN, L. AUDEGOND, A. MORILLA, L. MAYORDOMO-BLANCO, A. TORTAJADA, G. HAYNES, J. A. VERICAT, R. PIROVANO, E. GILLIO TOS, C. HAGEMANN, P. VANPARYS, G. DEKNUDT, G. JACOBS, M. PRINSEN, S. KALWEIT and H. SPIELMANN (1994) forstructurally similar read across substanceHexadecyltrimethylammonium bromide(CAS No:57-09-0).The test was performed according to EEC (1984 and 1991) and French (1984 and 1991) directives with few modifications. Three rabbits were used per test compound, and maximal average score (MAS) as well as score at day 1 were calculated. At the request of the participants, any mass of material present in the conjunctival sac was removed after the 1-hr observation. Also, a fluorescein solution was used for observation of corneal lesions. Only ocular lesions (cornea, iris and conjunctiva) were scored (Draizeet al.,1944) at 1 hr, then at 1, 2, 3, 4, 7 and 14 days. In the case of positive score, eyes were also examined at 21 days. Raw data were also used to classify chemicals according to the rating system described by Kay and Calandra (1962), and the EC criteria. The MAS score forHexadecyltrimethylammonium bromidewas determined to be 69.0 and score measured at day 1 was 49.7.Hexadecyltrimethylammonium bromide was evaluated as aR36 (irritant) according to EEC(1984) directives and Exterme Irritant according toKay and Calandra (1962). Hence based on the scores and evaluation criteria, Hexadecyltrimethylammonium bromide(CAS No:57-09-0)can be considered as an eye irritant.
The above results were further supported by the Draize test conducted according to the OECD guidelines forstructurally similar read across substanceStearyltrimethylammonium chloride(CAS No:112-03-8) by Y. OHNO, T. KANEKO, T. INOUE, Y. MORIKAWA, T. YOSHIDA, A. FUJII, M. MASUDA, T. OHNO, M. HAYASHI, J. MOMMA, T. UCHIYAMA, K. CHIBA, N. IKEDA, Y. IMANISHI, H. ITAKAGAKI, H. KAKISHIMA, Y. KASAI, A. KURISHITA, H. KOJIMA, K. MATSUKAWA, T. NAKAMURA, K. OHKOSHI, H. OKUMURA, K. SAIJO, K. SAKAMOTO, T. SUZUKI, K. TAKANO, H. TATSUMI, N. TANI, M. USAMI and R. WATANABE (1999).In the first validation, 100 ml aqueous solution or a suspension ofStearyltrimethylammonium chloride(10%) was applied to the right eyes of male New Zealand white rabbits (2.30±2.98 kg, 13 wk of age). Left eyes remained untreated as a control. Eyes were observed at 1 hr, 4 hr, and every 24 hr thereafter for 7 days. Three rabbits were used for test. MAS [Maximum average scores] and scores at 24 hr after application calculated for cornea, iris, conjunctivae and the sum of these scores (total average score) were used for comparison with in vitro data. According to the classification by Kay and Calandra (1962), chemicals can be classified as follows based on their MAS scores. The Maximum Average Score[MAS] obtained for 10% Stearyltrimethylammonium chloridewas instilled in rabbits eyes is 91.3 after 7 days and the average scores after 24 hours was 56.3.According to the classification based on the MAS scores Stearyltrimethylammonium chloride(CAS No:112-03-8)can be considered to be an eye irritant.
Based on the available data for the target as well as it read across substances and applying the weight of evidence approach, it can be concluded that Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)was irritating to eyes. Comparing the above annotations with the criteria of CLP regulation, Dialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)can be classified under the category “Category 2”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemicalDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)and its structurally similar read across substanceswere observed in various studies. The results obtained from these studies indicate that the chemicalDialkyl(C1-C14)dithiophosphoric acid, zinc saltis likely to cause skin and eye irritation. HenceDialkyl(C1-C14)dithiophosphoric acid, zinc salt (CAS No: 68649-42-3)can be classified under the category“Category 2”for skin and eye as per CLP.
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