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EC number: 816-315-9 | CAS number: 70024-75-8
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results.
- Justification for type of information:
- Please see attached justification for read across in Section 13.
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- read-across source
Reference
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Study period:
- 13 Sep - 02 Oct 2006
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- GLP - Guideline study. According to the ECHA guidance document "Practical guide 6: How to report read-across and categories (March 2010)", the reliability was changed from RL1 to RL2 to reflect the fact that this study was conducted on a read-across substance.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Version / remarks:
- adopted in 2002
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.42 (Skin Sensitisation: Local Lymph Node Assay)
- Version / remarks:
- adopted in 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.2600 (Skin Sensitisation)
- Version / remarks:
- adopted in 2003
- Deviations:
- no
- GLP compliance:
- yes
- Type of study:
- mouse local lymph node assay (LLNA)
- Species:
- mouse
- Strain:
- other: CBA strain, inbred, SPF-Quality
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Source: Charles River France, L´Arbresle Cedex, France
- Age at study initiation: approx. 11 weeks old
- Weight at study initiation: 20-25 g (females)
- Housing: individual housing in labelled Macrolon cages (MI type) containing sterilized sawdust as bedding material
- Diet: pelleted rodent diet, ad libitum
- Water: tap water, ad libitum
- Acclimation period: at least 5 days
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 21 ± 3
- Humidity (%): 30 - 70 (relative humidity); 40 – 70 (actual range)
- Air changes (per hr): 15
- Photoperiod (hrs dark / hrs light): 12 / 12
IN-LIFE DATES: From: 13 Sept 2006 To: 02 October 2006 - Vehicle:
- acetone/olive oil (4:1 v/v)
- Concentration:
- 25, 50 and 100%
- No. of animals per dose:
- 5
- Details on study design:
- RANGE FINDING TESTS:
- Irritation: a preliminary irritation study (range-finding study) was run in order to select the highest test substance concentration to be used in the main study.
A series of two test substances concentrations was tested, selected from the series: 100% (undiluted), 50%, 25%, 10%, 5%, 2.5%, and 1% and if needed further lower concentrations using the same steps. The test system, procedures and techniques were identical to those used during days 1 to 3 of the main study unless otherwise specified.
2 young adult animals were selected (5-14 weeks old). Each animal was treated with one concentration on 3 consecutive days.
Approximately 4 hours after the last exposure, the ear was cleaned of residual test substance with tap water and the irritation was assessed. Body weight were recorded on day 3.
At 50% dose concentration a grade 2 erythema (well defined erythema) was observed in 1 animal on the left and right dorsal surface ear. At 100% dose concentration a grade 1 erythema (slight erythema) was observed in the other animal on the left and right dorsal surface area. Based on the results, the highest test substance concentration selected for the main study was 100% concentration.
MAIN STUDY
ANIMAL ASSIGNMENT AND TREATMENT
- Name of test method: ³H-methyl thymidine incorporation determined by ß-scintillation
- Criteria used to consider a positive response: DPM (disintegration per minutes) values were presented for each animal and for each dose group. A stimulation index (SI, ratio of the DPM/ treated group compared to DPM/vehicle control group) was calculated for each group. If the results indicate a SI ≥ 3, the test substance was regarded as a skin sensitizer.
TREATMENT PREPARATION AND ADMINISTRATION: 25 µL of test substance was applied to the dorsal surface of each ear of each mouse. The application was repeated on Days 2 and 3. On Day 6 an injection of 250 µL phosphate buffered saline (PBS) containing 20 µCi of ³H-methyl thymidine (³H-TdR) was made into the tail vein of each experimental mouse. Five hours later, the draining auricular lymph node of each ear was excised in PBS. A single cell suspension of lymph node cells (LNC) was prepared in PBS by gentle separation through stainless steel gauze (diameter 125 µm). LNC were washed twice with an excess of PBS by centrifugation at 200 g for 10 minutes at 4 °C. To precipitate the DNA, the LNC were exposed to 5% trichloroacetic acid (TCA) at 4 °C during the night. - Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- Statistics:
- Linear interpolation was used to calculate EC3 value for positive control concentrations
- Positive control results:
- Mean DPM/animal values for the experimental groups treated with positive control concentrations 5, 10 and 25% were 324, 621, and 1145 respectively.The SI values calculated for the alpha-hexylcinnamic aldehyde concentrations 5, 10 and 25% were 1.6, 3.0 and 5.5 respectively. An EC3 value of 10.0% was calculated using linear interpolation.
- Key result
- Parameter:
- SI
- Value:
- 1.1
- Test group / Remarks:
- 25%
- Key result
- Parameter:
- SI
- Value:
- 0.9
- Test group / Remarks:
- 50%
- Key result
- Parameter:
- SI
- Value:
- 2.3
- Test group / Remarks:
- 100%
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- CLP: not classified
DSD: not classified
Slight irritation was noted among the animals of the control group and in all animals treated at 25%. Slight or well-defined irritation was noted among the animals of the higher dose groups.
Table 1: Skin reactions, body weights and relative size auricular lymph nodes
Group |
%Test substance |
Animal |
Day 3 |
Day 6 |
||||
|
|
|
Skin reactions dorsal surface ear |
Size nodes |
||||
|
|
|
left |
right |
|
|||
|
|
|
erythema |
oedema |
erythema |
oedema |
left |
right |
1 |
0% (vehicle) |
1 |
0 |
0 |
0 |
0 |
n |
n |
|
|
2 |
0 |
0 |
1 |
0 |
n |
n |
|
|
3 |
0 |
0 |
1 |
0 |
n |
n |
|
|
4 |
0 |
0 |
0 |
0 |
n |
n |
|
|
5 |
0 |
0 |
1 |
0 |
n |
n |
|
25% |
6 |
1 |
0 |
1 |
0 |
n |
n |
|
|
7 |
0 |
0 |
1 |
0 |
n |
n |
|
|
8 |
0 |
0 |
1 |
0 |
n |
n |
|
|
9 |
0 |
0 |
1 |
0 |
n |
n |
|
|
10 |
1 |
0 |
1 |
0 |
n |
n |
|
50% |
11 |
1 |
0 |
2 |
0 |
n |
n |
|
|
12 |
1 |
0 |
1 |
0 |
n |
n |
|
|
13 |
1 |
0 |
2 |
0 |
n |
- |
|
|
14 |
1 |
0 |
1 |
0 |
n |
n |
|
|
15 |
1 |
0 |
1 |
0 |
- |
n |
|
100% |
16 |
0 |
0 |
1 |
0 |
n |
- |
|
|
17 |
1 |
0 |
2 |
0 |
n |
n |
|
|
18 |
1 |
0 |
1 |
0 |
n |
n |
|
|
19 |
1 |
0 |
1 |
0 |
n |
n |
|
|
20 |
1 |
0 |
2 |
0 |
n |
n |
n= considered to be normal
- Reason / purpose for cross-reference:
- read-across source
Reference
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Study period:
- 01 Nov 1995 - 01 Dec 1995
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP-guideline study with acceptable restrictions (during induction phase the scapolar region was treated instead of flank; during challenge the right and left top flank were treated with test substance; details on positive control not given)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 406 (Skin Sensitisation)
- Deviations:
- yes
- Remarks:
- During the induction phase the scapolar region was treated instead of flank; during challenge the right and left top flank were treated with the test substance; no details on the positive control given
- GLP compliance:
- yes
- Type of study:
- Buehler test
- Justification for non-LLNA method:
- Available study data 12+ years
- Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Source: Charles River UK, Ltd, Manston Rd, Margate, Kent or Harlan Porcellus, Firgrove Farm, Cross-in-Hand, Heathfield, Sussex, UK
- Weight at study initiation: 250-450 g
- Housing: not further specified
- Diet: RGP Guinea Pig diet supplied by Labsure, Lavender Mill, Manea, Cambridgeshire, UK
- Water: mains
- Acclimation period: at least 6 days prior to dosing
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 19 ±2
- Humidity (%): 55 ±15
- Air changes (per hr): 25-30 per hour
- Photoperiod (hrs dark / hrs light): 12 / 12 - Route:
- epicutaneous, occlusive
- Vehicle:
- corn oil
- Concentration / amount:
- 100%
- Day(s)/duration:
- Day 1/6h
- Adequacy of induction:
- not specified
- Route:
- epicutaneous, occlusive
- Vehicle:
- corn oil
- Concentration / amount:
- 100%
- Day(s)/duration:
- Day 28/6 h
- Adequacy of challenge:
- not specified
- Route:
- epicutaneous, occlusive
- Vehicle:
- corn oil
- Concentration / amount:
- 30%
- Day(s)/duration:
- Day 28/6 h
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 10 (control), 20 (in test groups)
- Details on study design:
- MAIN STUDY
A. INDUCTION EXPOSURE
- No. of exposures: 3
- Exposure period: 6 h
- Test groups: test substance
- Control group: corn oil
- Site: scapular region
- Frequency of applications: every 7 days
- Duration: Days 0-14
- Concentrations: 100%
B. CHALLENGE EXPOSURE
- No. of exposures: 1
- Day(s) of challenge: 28
- Exposure period: 6 h
- Test groups: test substance in corn oil
- Control group: test substance in corn oil
- Site: top left flank (test substance 100%) and top right flank (test substance 30%)
- Concentrations: 100% and 30%
- Evaluation (hr after challenge): 24 and 48 h after patch removal - Positive control substance(s):
- yes
- Remarks:
- not specified
- Key result
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- 0%
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Key result
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- 100%
- No. with + reactions:
- 1
- Total no. in group:
- 20
- Clinical observations:
- Scattered mild redness
- Key result
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- 0%
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Key result
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- 100%
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- CLP: not classified
DSD: not classified
Data source
Materials and methods
Test material
- Reference substance name:
- Esterification products of 2,2-dimethylpropane-1,3-diol with n-heptanoic acid and n-octanoic acid and n-decanoic acid
- EC Number:
- 816-315-9
- Cas Number:
- 70024-75-8
- Molecular formula:
- C18H34O4 to C25H48O4 (in CH2 increments)
- IUPAC Name:
- Esterification products of 2,2-dimethylpropane-1,3-diol with n-heptanoic acid and n-octanoic acid and n-decanoic acid
- Test material form:
- liquid
Constituent 1
Results and discussion
In vivo (non-LLNA)
Resultsopen allclose all
- Key result
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- negative control
- Dose level:
- 0%
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Remarks on result:
- other: CAS 68855-18-5
- Key result
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- 100%
- No. with + reactions:
- 1
- Total no. in group:
- 20
- Clinical observations:
- Scattered mild redness
- Remarks on result:
- other: CAS 68855-18-5
- Key result
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- negative control
- Dose level:
- 0%
- No. with + reactions:
- 0
- Total no. in group:
- 10
- Remarks on result:
- other: CAS 68855-18-5
- Key result
- Reading:
- 2nd reading
- Hours after challenge:
- 48
- Group:
- test chemical
- Dose level:
- 100%
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Remarks on result:
- other: CAS 68855-18-5
Any other information on results incl. tables
Results from CAS 91031-85-5 in vivo (LLNA)
Parameter Value Test group / Remarks
SI 1.1 25%
SI 0.9 50%
SI 2.3 100%
Applicant's summary and conclusion
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.
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