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EC number: 248-256-4 | CAS number: 27138-01-8
- 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
For this endpoint, there is no data on the isomer mixture.
Skin irritation
The acute dermal irritation of the meta isomer was evaluated in rabbits according to OECD 404 guideline (Wang, 2012b). Four healthy Japanese white rabbits were taken for the test. 0.5 g test substance was applied to an area of shaved skin on left of back of four healthy rabbits and the application site was covered with a semi-occlusive dressing for four hours. Following exposure, dermal irritation was evaluated by at 24, 48 and 72h after removal of the dressing. No erythema was observed on the treated skin area of any rabbit. There was no erythema on the control area of the rabbits. The average score of skin responses was 0. In conclusion, under the experimental conditions of the test, a,a,a’,a’-tetramethyl-m-xylene-a,a’-diol is considered as non-irritant when applied topically to rabbit skin.
The skin irritation potential of the meta and para isomers was evaluated in chemico using Toxtree. Both isomers were considered to be not Irritating or Corrosive to skin.
In conclusion, m/p-DIOLS can be considered as not skin irritant.
Eye irritation
The potential of meta isomer to induce ocular irritation was evaluated in rabbits according to OECD 405 guideline (Wang, 2012c). Four healthy Japanese white rabbits were taken for the test. 0.1 g of the test substance was put into the left eye of four healthy rabbits. The right eye was treated with 0.1 ml normal saline and served as control. The left eye was not treated and served as control. The eyes were not rinsed after administration of the test item. Ocular reactions were observed approximately 1 hour, 24, 48 and 72 hours after the administration. No eye reactions occurred after exposure until the 72 h. Therefore the rabbits were not observed anymore. In conclusion, under these experimental conditions, a,a,a’,a’-tetramethyl-m-xylene-a,a’-diol was not irritant when administered by ocular route to rabbits.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 June 2011 - 24 June 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The study has some deviations and some information in the report is incomplete. However the study was conducted in accordance with current guidelines and the report includes a QA certification statement.
- Qualifier:
- according to guideline
- Guideline:
- other: The Guidelines for the Testing of Chemicals (State Environmental Protection Administration of China, 2004.5, 404, Acute Dermal Irritation Test)
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- The laboratory has no GLP accreditation (nevertheless the project plan and the report were audited by the Quality Assurance Unit)
- Species:
- rabbit
- Strain:
- other: Japanese white
- Details on test animals or test system and environmental conditions:
- Four healthy male albino rabbits, 2.1-2.2kg, were supplied by Beijing KeYu Expenerimental Animals Products Center (Certificate No:
SCXK(Jing)2007 -0003).
Animals were kept in animal room in Institute of Laboratory Animal Sciences, CAMS (normal environment, Certificate No.: SYXK(Jing)
2010-0030). Environmental conditions for animal husbandry are maintained with the 12-h light/dark cycle, the temperature of 20-23°C,
and the relative humidity of 40-70%. All animals had free access to sterilized drinking water and irradiation sterilized commercial pellet diets
except during exposure (Beijing HFK Bio-technology Co., Ltd. Certificate No.: SCXK(Jing) 2009- 0008). The tap water was of drinking
water quality (Sterile water for reverse osmosis).Animals were acclimatized to the laboratory conditions for at least 5d prior to the test. - Type of coverage:
- semiocclusive
- Preparation of test site:
- other: clipped
- Vehicle:
- water
- Controls:
- other: The right flank was treated with 0.5 ml distilled water as control
- Amount / concentration applied:
- 0.5 grams
- Duration of treatment / exposure:
- 4 hours
- Observation period:
- 72 hours
- Number of animals:
- 4
- Details on study design:
- 24 hours before the test, the fur on the bilateral dorsal sides (3 X 3 cm2) of rabbits was removed by clipping, respectively.
It was treated with 0.5 g substance (moistened with distilled water) on the left skin area evenly at the second day, and covered with one layer of sulfate paper and two layers of surgical bandages, and fixed with non-irritation tapes, The right free fur area was treated with 0.5 ml distilled water as control, the covering was same as the left, The exposure duration was 4 hours.
Afterwards, the dressing was removed and the residual test substance was cleaned with detergent and warm water.
The test areas were evaluated for both erythema and edema, and compared with the control areas, Scores were given at 24, 48 and 72h
following removal of the dressing. The irritation intensity of the test substance was recorded according to the criteria in "The Guidelines for the Testing of Chemicals". - Irritation parameter:
- erythema score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Irritation parameter:
- edema score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Irritant / corrosive response data:
- No erythema was observed on the treated skin area of any rabbit. There was no erythema on the control area of the rabbits. The average score of skin responses was zero.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Under the experimental conditions of the test, a,a,a',a'-tetramethyl-m-xylene-a,a'-diol is considered as non-irritant when applied topically to rabbit skin.
- Executive summary:
The acute dermal irritation of the meta-diols isomer was evaluated in rabbits according to OECD 404 guideline.
Four healthy Japanese white rabbits were taken for the test. 0.5g test substance was applied to an area of shaved skin on left of back of four healthy rabbits and the application site was covered with a semi-occlusive dressing for four hours. Following exposure, dermal irritation was evaluated by at 24, 48 and 72h after removal of the dressing. No erythema was observed on the treated skin area of any rabbit. There was no erythema on the control area of the rabbits. The average score of skin responses was 0. In conclusion, under the experimental conditions of the test, a,a,a',a'-tetramethyl-m-xylene-a,a'-diol is considered as non-irritant when applied topically to rabbit skin.
- Endpoint:
- skin irritation / corrosion, other
- Remarks:
- in chemico
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
Toxtree (Estimation of Toxic Hazard - A Decision Tree Approach)
2. MODEL (incl. version number)
Version 2.6.13
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
1999-85-5: OC(c1cccc(C(O)(C)C)c1)(C)C
2948-46-1: C(C)(C)(O)c1ccc(C(C)(C)O)cc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Skin irritation
- Unambiguous algorithm: see attached rules
- Defined domain of applicability: rules were developed for Identifying Chemical Substances with no Skin Irritation or Corrosion Potential whatever the chemical structure
- Appropriate measures of goodness-of-fit and robustness and predictivity: not relevant
- Mechanistic interpretation: according to the rules and decision tree of the specific end-point
5. APPLICABILITY DOMAIN
- Descriptor domain: Defined by the rules
- Structural and mechanistic domains: Defined by the rules
- Similarity with analogues in the training set: not relevant
6. ADEQUACY OF THE RESULT
The estimation is coherent with the available in vivo data - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance. Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- Toxtree (Estimation of Toxic Hazard - A Decision Tree Approach) (Version 2.6.13)
- Specific details on test material used for the study:
- SMILES:
1999-85-5: OC(c1cccc(C(O)(C)C)c1)(C)C
2948-46-1: C(C)(C)(O)c1ccc(C(C)(C)O)cc1 - Remarks on result:
- other: Not Irritating or Corrosive to skin
- Interpretation of results:
- GHS criteria not met
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 21 June 2011 - 24 June 2011
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The study has some deviations and the information in the report is limited. However the study was conducted in accordance with current guidelines and the report includes a QA certification statement.
- Qualifier:
- according to guideline
- Guideline:
- other: “The Guidelines for the Testing of Chemicals (State Environmental Protection Administration of China, 2004.5, 405, Acute Eye Irritation Test)
- Deviations:
- no
- GLP compliance:
- no
- Remarks:
- The laboratory has no GLP accreditation (nevertheless the project plan and the report were audited by the Quality Assurance Unit)
- Species:
- rabbit
- Strain:
- other: Japanese white
- Details on test animals or tissues and environmental conditions:
- Four healthy male albino rabbits, 2.1-2.3kg, were supplied by Beijing KeYu Expenerimental Animals Products Center (Certificate No:
SCXK(Jing)2007 -0003).
Animals were kept in animal room in Institute of Laboratory Animal Sciences, CAMS (normal environment, Certificate No.: SYXK(Jing)
2010-0030), Environmental conditions for animal husbandry are maintained with the 12-h light/dark cycle, the temperature of 20-23 'C ,
and the relative humidity of 40-70%. All animals had free access to sterilized drinking water and irradiation sterilized commercial pellet diets
except during exposure (Beijing HFK Bio-technology Co., Ltd. Certificate No,: SCXK(Jing) 2009- 0008). The tap water was of drinking
water quality (Sterile water for reverse osmosis). Animals were acclimatized to the laboratory conditions for at least 5d prior to the test. - Vehicle:
- unchanged (no vehicle)
- Controls:
- other: the right eye was used as the control and treated with 0.1 ml saline
- Amount / concentration applied:
- 0.1 gram
- Duration of treatment / exposure:
- 0.1 g was put in the left eye of the rabbits at the start of the study
- Observation period (in vivo):
- 72 hours
- Number of animals or in vitro replicates:
- 4
- Details on study design:
- Animals were examined ophthalmoscopically and evaluated with sodium fluorescein prior to the exposure to assure that they were free of
ocular defects, lesions, or irritation that may have interfered with the goals ofthe test.
0.lg test substance was put into the conjunctival sac of the left eye of each test rabbit (4 rabbits). The eye-lids were then gently keep closed.
The eyes were not washed within 24 hours after exposure. The right eye treated with 0.1 ml normal saline and served as control.
The eye reactions, including those of cornea, iris, and conjunctiva, were evaluated at 1, 24, 48 and 72h after exposure, respectively. One drop
of 5% sodium fluorescein solution was instilled into both eyes of each rabbit for evaluation areas of the cornea opacity. At the same time, all
scorings were taken. The irritation intensity of test substance was recorded according to the criteria in "The Guidelines for the Testing of
Chemicals" . - Irritation parameter:
- cornea opacity score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Irritation parameter:
- iris score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 2
- Irritation parameter:
- conjunctivae score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 3
- Irritation parameter:
- chemosis score
- Basis:
- mean
- Time point:
- 24/48/72 h
- Score:
- 0
- Max. score:
- 4
- Irritant / corrosive response data:
- No eye reactions occurred after exposure until 72h. The Index of Acute Ocular Irritation (I.A.O.I.) was "0", which was classified to non-irritation.
- Other effects:
- At necropsy, no effects were observed.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Not irritating to the eye
- Executive summary:
The potential of a,a,a',a'-tetramethyl-m-xylene-a,a'-diol to induce ocular irritation was evaluated in rabbits according to OECD guideline.
Four healthy Japanese white rabbits were taken for the test. 0.1 g of the test substance was put into the left eye of four healthy rabbits. The right eye was treated with 0.1 ml normal saline and served as control. The right/left eye was not treated and served as control. The eyes were not rinsed after administration of the test item. Ocular reactions were observed approximately 1 hour, 24, 48 and 72 hours after the administration.
No eye reactions occurred after exposure until the 72 h. Therefore the rabbits were not observed anymore.
In conclusion, under these experimental conditions, the test item is not irritant when administered by ocular route to rabbits.
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Justification for classification or non-classification
According to EU Regulation (EC) N0. 1272/2008 (CLP), the test item is not classified for skin or eye irritation.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.

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