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EC number: 831-973-7 | CAS number: 147116-67-4
- 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 (LLNA)
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- (2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxy-phenyl)methyl]quinuclidin-3-amine
- EC Number:
- 831-973-7
- Cas Number:
- 147116-67-4
- Molecular formula:
- C32H40N2O
- IUPAC Name:
- (2S,3S)-2-benzhydryl-N-[(5-tert-butyl-2-methoxy-phenyl)methyl]quinuclidin-3-amine
- Test material form:
- solid: granular
- Remarks:
- Granular white powder
- Details on test material:
- Granular white powder
Constituent 1
- Specific details on test material used for the study:
- Sponsor's identification CJ-11,972
Description white solid
Batch number 52855-16-4
Date received I I April 2001
Storage conditions room temperature in the dark
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- Balb/c
- Sex:
- male
- Details on test animals and environmental conditions:
- Male BALB/c (BALB/cAnNCrlBR) strain mice were supplied by Charles River UK Limited.
Margate. Kent. UK. At the start of the study the animals weighed 18 to 21 g, and were
approximately six to eight weeks old. After an acclimatisation period of at least five days. each
animal was selected at random and given a number unique within the study which was written on
the tail using a black indelible marker pen.
The animals were housed in groups of four in suspended polypropylene cages fitted with stainless
steel mesh lids and furnished with softwood woodtlakes. Free access to mains tap water and food
(Rat and Mouse Expanded Diet No. I. Special Diets Services Limited. Witham. Essex. UK) was
allowed throughout the study.
The temperature and relative humidity were controlled to remain within target ranges of 19 to
25°C and 30 to 70% respectively. Any occasional deviations from these targets were considered
not to have affected the purpose or integrity of the study. The rate of air exchange was
approximately fifteen changes per hour and the lighting was controlled by a time switch to give
twelve hours continuous light (06.00 to 18.00) and twelve hours darkness.
Study design: in vivo (LLNA)
- Vehicle:
- acetone/olive oil (4:1 v/v)
- Concentration:
- 0.1, 1 and 10% w/v
- No. of animals per dose:
- four
- Details on study design:
- The method used was that described by Kimber L Hilton J and Weisenberger C ( 1989) "The
Murine Local Lymph Node Assay for Identification of Contact Allergens : A Preliminary
Evaluation of in situ Measurements of Lymphocyte Proliferation". Contact Dermatitis 21. 215-
220 and Basketter D A and Scholes E W (1992) Comparison of the Local Lymph Node Assay
with the Guinea Pig Maximisation Test for the Detection of a Range of Contact Allergens, Food
and Chemical Toxicology 30. 65-69.
Sixteen mice were used. twelve test and four control. The bodyweight of each animal was
recorded at the start and end of the study.
In a preliminary investigation the test material was found to be soluble at a maximum
concentration of I 0% in acetone/olive oil 4: 1 (v/v). Concentrations of I 0%. l % and 0.1 % wlv in
acetone/olive oil 4: I (v/v) were therefore chosen for the main study.
Groups of four mice were treated with the test material at concentrations of 0. I, I or I 0% w/v in acetone/olive oil 4: 1 (v/v). The mice were treated by daily application of 25 µI of the
appropriate concentration of the test material to the dorsal surface of each ear for three
consecutive days (Days 0. 1. 2). The test material formulation was administered using an
automatic micropipette and spread over the dorsal surface of the ear using the tip of the pipette.
A further group of four mice received the vehicle alone in the same manner.
Five days following the first topical application of the test material (Day 5) all mice were injected
via the tail vein with 250 µI of phosphate buffered saline containing 3H-methyl thymidine
(HTdR: 80 µCi/ml, specific activity 2.0 Ci/mmol, Amersham Pharmacia Biotech) giving a total
of 20 µCi to each mouse. - Positive control substance(s):
- mercaptobenzothiazole (CAS No 149-30-4)
Results and discussion
- Positive control results:
- Proliferation 1% w/v 1.73; 5% w/v 1.71; 25% w/v 3.97
In vivo (LLNA)
Resultsopen allclose all
- Parameter:
- SI
- Value:
- 1
- Test group / Remarks:
- control
- Parameter:
- SI
- Value:
- 0.7
- Test group / Remarks:
- 0.1% w/v
- Parameter:
- SI
- Value:
- 1.8
- Test group / Remarks:
- 1 % w/v
- Parameter:
- SI
- Value:
- 10.6
- Test group / Remarks:
- 10% w/v
- Cellular proliferation data / Observations:
- CELLULAR PROLIFERATION DATA
vehicle: 434.4 dpm/node
0.1% w/v: 300.5 dpm/node
1% w/v: 766.5 dpm/node
10% w/v: 4593.7 dpm/node
DETAILS ON STIMULATION INDEX CALCULATION
A test/control ratio of greater than 3 was recorded for the I 0% w/v concentration of the test
material. A test/control ratio of less than 3 was recorded for the two remaining concentrations of the test material (0.1 and I% w/v)
EC3 CALCULATION
Not calculated
CLINICAL OBSERVATIONS:
There were no deaths. No signs of systemic toxicity were noted in the test or control animals throughout the study period.
BODY WEIGHTS
Bodyweight changes of the test animals between Day O and Day 5 were comparable to those observed in the corresponding control group animals over the same period.
SKIN IRRITATION
No evidence of skin irritation was noted at the treatment sites of test or control animals.
Applicant's summary and conclusion
- Interpretation of results:
- Category 1 (skin sensitising) based on GHS criteria
- Conclusions:
- The test material was considered to be a sensitiser under the conditions of the test.
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