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EC number: 272-037-2 | CAS number: 68649-89-8
- 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
The skin sensitization potential of Resin acids and Rosin acids, ammonium salts (68649-89-8)was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across of Resin acids and Rosin acids, ammonium salts (68649-89-8)was predicted to be not sensitizing to the skin of female Hsd Poc:DH guinea pig.
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation
- Remarks:
- 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 v3.3 and the QMRF report has been attached.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: As mention below
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3, 2017
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of the test material: Resin acids and Rosin acids, ammonium salts
- Regulatory name: Resin acids and Rosin acids, ammonium salts
- Molecular formula: Not specified
- Molecular weight: Not specified
- Substance type: Organic - Species:
- guinea pig
- Strain:
- other: Hsd Poc:DH
- Sex:
- female
- Details on test animals and environmental conditions:
- No data available
- No. of animals per dose:
- No data available
- Details on study design:
- No data available
- Challenge controls:
- No data available
- Positive control substance(s):
- not specified
- Statistics:
- No data available
- Positive control results:
- No data available
- Reading:
- 1st reading
- Group:
- test chemical
- No. with + reactions:
- 0
- Clinical observations:
- No skin sensitization effect was observed
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitizing
- Conclusions:
- The skin sensitization potential of Resin acids and Rosin acids, ammonium salts (68649-89-8)was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across of Resin acids and Rosin acids, ammonium salts (68649-89-8)was predicted to be not sensitizing to the skin of female Hsd Poc:DH guinea pig.
- Executive summary:
The skin sensitization potential of Resin acids and Rosin acids, ammonium salts (68649-89-8)was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across of Resin acids and Rosin acids, ammonium salts (68649-89-8)was predicted to be not sensitizing to the skin of female Hsd Poc:DH guinea pig.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and "m" )
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and "s" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Alkane, branched with tertiary
carbon OR Bridged-ring carbocycles OR Carbocyclic spiro rings OR
Carboxylic acid OR Cycloalkane OR Cycloalkene OR Fused saturated
carbocycles OR Isopropyl OR O-Alkyl hydroxylamine by Organic Functional
groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkane, branched with tertiary
carbon OR Bridged-ring carbocycles OR Carbocyclic spiro rings OR
Carboxylic acid OR Cycloalkane OR Fused saturated carbocycles OR
Isopropyl OR O-Alkyl hydroxylamine OR Overlapping groups by Organic
Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
OR Alcohol, olefinic attach [-OH] OR Aliphatic Carbon [CH] OR Aliphatic
Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Amino acid, non-alpha
carbon type OR Amino acid, olefine non-alpha type OR Carbonyl,
aliphatic attach [-C(=O)-] OR Fused Aliphatic ring unit OR
Miscellaneous sulfide (=S) or oxide (=O) OR Nitrogen, hydrogen attach
{v+5} OR Olefinic carbon [=CH- or =C<] OR Oxygen or Sulfur, nitrogen
attach [-O- or -S-] OR Oxygen, nitrogen attach [-O-] OR Tertiary Carbon
by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative OR
Carboxylic acid OR Carboxylic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Shiff base
formation after aldehyde release OR AN2 >> Shiff base formation after
aldehyde release >> Specific Acetate Esters OR Radical OR Radical >>
Generation of reactive oxygen species OR Radical >> Generation of
reactive oxygen species >> Thiols OR Radical >> Radical mechanism by ROS
formation (indirect) or direct radical attack on DNA OR Radical >>
Radical mechanism by ROS formation (indirect) or direct radical attack
on DNA >> Organic Peroxy Compounds OR SN1 OR SN1 >> Nucleophilic attack
after carbenium ion formation OR SN1 >> Nucleophilic attack after
carbenium ion formation >> Specific Acetate Esters OR SN2 OR SN2 >>
Acylation OR SN2 >> Acylation >> Specific Acetate Esters OR SN2 >>
Alkylation, direct acting epoxides and related OR SN2 >> Alkylation,
direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Specific Acetate Esters by DNA
binding by OASIS v.1.3
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 Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides
OR Michael addition 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 SN1 OR
SN1 >> Iminium Ion Formation OR SN1 >> Iminium Ion Formation >>
Aliphatic tertiary amines by DNA binding by OECD
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non binder, MW>500 OR Non
binder, non cyclic structure by Estrogen Receptor Binding
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
acylation involving a leaving group OR Acylation >> Direct acylation
involving a leaving group >> Anhydrides (sulphur analogues of
anhydrides) OR Acylation >> Ester aminolysis OR Acylation >> Ester
aminolysis >> Amides OR Michael Addition OR Michael Addition >> Michael
addition on conjugated systems with electron withdrawing group OR
Michael Addition >> Michael addition on conjugated systems with electron
withdrawing group >> Conjugated systems with electron withdrawing groups
OR Nucleophilic addition OR Nucleophilic addition >> Addition to
carbon-hetero double bonds OR Nucleophilic addition >> Addition to
carbon-hetero double bonds >> Ketones by Protein binding by OASIS v1.3
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Low (Class I) by Toxic hazard
classification by Cramer (original) ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Aliphatic acid [-C(=O)-OH] AND
-C=CH [alkenyl hydrogen] AND Carbon with 4 single bonds & no hydrogens
AND -CH - [cyclic] AND -CH- [linear] AND -CH2- [cyclic] AND Methyl
[-CH3] AND Quaternary amine by Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as -CH2- [linear] OR Ketone
[-C-C(=O)-C-] by Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group C Surface Tension > 62 mN/m
AND Group All Melting Point > 200 C AND Group C Melting Point > 55 C AND
Group C Molecular Weight > 350 g/mol AND Group C Vapour Pressure <
0.0001 Pa by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Group C Aqueous Solubility <
0.0001 g/L by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.947
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.73
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
In different studies, Rosin acids, ammonium salts (68649-89-8)has been investigated for potential of skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pig and human for target chemical Rosin acids, ammonium salts (68649-89-8) and its structurally similar read across substancesPimaric acid (127-27-5)andSandaracopimaric acid (471-74-9) ,the predicted data using the OECD QSAR toolbox has also been compared with the experimental data of read across.
The skin sensitization potential of Resin acids and Rosin acids, ammonium salts (68649-89-8) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the six closest read across of Resin acids and Rosin acids, ammonium salts (68649-89-8)was predicted to be not sensitizing to the skin of female Hsd Poc:DH guinea pig.
Also these results are further supported by the experimental study conducted by Hausen BM; Hessling C (Contact Dermatitis, Vol. 23, No. 2, pages 90-95, 1990) for the structurally similar read across substance,Pimaric acid (127-27-5)in guinea pig. The skin sensitization study of Pimaric acid (127-27-5) was performed by modified Freud’s completed adjuvant method in 10female Pirbright white albino guinea pigs. In induction phase, intradermal injection of00.1-0.15ml emulation of 4ml phys. Saline and 4 ml FCA in which 15mg of test material (10%) concentration was given as semi-circular arc on the Clipped and shaved shoulder area (4x6 cm).from left to right on day 1, 5 and 9. After rest period of 11 days, on day 20 Challenge given by using 0.05ml of 10% test material dose concentration applied open epicutaneous on right shaved flank. The reaction evaluated after 24,48 and 72hr.The mean response was computed as the quotient of the sum of all reactions obtain, divided by the total number of treated animals. No indication of skin sensitization after the 24 and 72hr in any of the 10 animals only 1 animals show positive skin sensitization effect 48 hr after challenge application. Hence the Pimaric acid (127-27-5) was considered to be not skin sensitizing in guinea pig.
Also these results are further supported by the experimental study conducted by Hausen BM; Hessling C (Contact Dermatitis, Vol. 23, No. 2, pages 90-95, 1990) for the structurally similar read across substance, Sandaracopimaric acid (471-74-9) in guinea pig . The skin sensitization study of Sandaracopimaric acid (471-74-9) was performed by modified Freud’s completed adjuvant method in 10 female Pirbright white albino guinea pigs. In induction phase, intradermal injection of00.1-0.15ml emulation of 4ml phys. Saline and 4 ml FCA in which 15mg of test material (10%) concentration was given as semi-circular arc on the Clipped and shaved shoulder area (4x6 cm).from left to right on day 1, 5 and 9.After rest period of 11 days, on day 20 Challenge given by using 0.05ml of 10% test material dose concentration applied open epicutaneous on right shaved flank. The reaction evaluated after 24, 48 and 72hr.The mean response was computed as the quotient of the sum of all reactions obtain, divided by the total number of treated animals. Only 1 animals show positive skin sensitization after challenge application. Hence the Sandaracopimaric acid (471-74-9) was considered to be not skin sensitizing in guinea pig
Thus based on the above predictions on Rosin acids, ammonium salts (68649-89-8)as well as its read across and applying weight of evidence, it can be concluded Rosin acids, ammonium salts (68649-89-8) is not a skin sensitizer. Thus comparing the above studies with the criteria of CLP regulation, Rosin acids, ammonium salts (68649-89-8)can be considered as not classified for skin sensitization.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Thus comparing the above studies with the criteria of CLP regulation, Rosin acids, ammonium salts (68649-89-8)can be considered as not classified for skin sensitization.
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