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EC number: 204-541-5 | CAS number: 122-40-7
- 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:
A primary skin test of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was carried out by mean of closed patch to examine the degree of skin irritancy caused by the chemical on 108 human subject. In this test, alpha-Amyl cinnamaldehydewas applied to the back, forearm and upper arm of 108 male/female humans in Japan under occlusive condition at a concentration of 0.05-0.5% 24–48 h and the sites evaluated 30 min after the patches were removed. Cream base or ethyl alcohol was used as a vehicle. Only 1 subject showed positive erythema while negative results were observed in remaining subjects (1/108). Thereforealpha-Amyl cinnamaldehyde (CAS No: 122-40-7)was considered to be non-irritant to the skin.
Eye irritation
The ocular irritation potential of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The test substance Alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was estimated to be not irritating into the eyes of Vienna White rabbits. Based on the estimated result alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ 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:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- data is from peer reviewed journal
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- A primary skin test of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was carried out by mean of closed patch to examine the degree of skin irritancy caused by the chemical on 108 human subjects.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: (2E)-2-(phenylmethylidene)heptanal
- Molecular formula: C14H18O
- Molecular weight: 202.2952 g/mol
- Smiles notation: c1(\C=C(\CCCCC)C=O)ccccc1
- InChl: 1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
- Substance type: Organic
- Physical state: Liquid - Species:
- other: human
- Strain:
- other: not applicable
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Tokyo, Osaka
- Age at study initiation:16-45 yrs of age
- Weight at study initiation: No data available
- Fasting period before study: No data available
- Housing: No data available
- Diet (e.g. ad libitum): No data available
- Water (e.g. ad libitum): No data available
- Acclimation period: No data available
ENVIRONMENTAL CONDITIONS
- Temperature (°C): No data available
- Humidity (%): No data available
- Air changes (per hr): No data available
- Photoperiod (hrs dark / hrs light): No data available
IN-LIFE DATES: From: To: September 1963- December 1967 - Type of coverage:
- occlusive
- Preparation of test site:
- not specified
- Vehicle:
- other: Cream base or 99% ethyl alcohol
- Controls:
- yes
- Amount / concentration applied:
- 0.05-0.5 %
- Duration of treatment / exposure:
- 24-48 hrs
- Observation period:
- 30mins after patch removal
- Number of animals:
- 108 humans
- Details on study design:
- - Area of exposure: back, forearm (flexor) and upperarm (inside flexion side)
- % coverage: No data available
- Type of wrap if used: No data available
REMOVAL OF TEST SUBSTANCE
- Washing (if done): No data available
- Time after start of exposure: No data available - Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 24/48 h
- Score:
- 1
- Max. score:
- 108
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Remarks:
- Only 1 subject showed positive erythema while negative results were observed in remaining subjects.
- Irritant / corrosive response data:
- Only 1 subject showed positive erythema while negative results were observed in remaining subjects.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The test material alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) when applied as a patch did not show any reaction.
This suggests alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) to be non irritant to the skin. - Executive summary:
A primary skin test of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was carried out by mean of closed patch to examine the degree of skin irritancy caused by the chemical on 108 human subject.
alpha-Amyl cinnamaldehydewas applied to the back, forearm and upper arm of 108 male/female humans in Japan under occlusive condition at a concentration of 0.05-0.5% 24–48 h and the sites evaluated 30 min after the patches were removed. Cream base or ethyl alcohol was used as a vehicle.
Only 1 subject showed positive erythema while negative results were observed in remaining subjects (1/108). Thereforealpha-Amyl cinnamaldehyde (CAS No: 122-40-7)was considered to be non-irritant to the skin.
Reference
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:
- (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: (2E)-2-(phenylmethylidene)heptanal
- Molecular formula: C14H18O
- Molecular weight: 202.2952 g/mol
- Smiles notation: c1(\C=C(\CCCCC)C=O)ccccc1
- InChl: 1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
- Substance type: Organic
- Physical state: Liquid - Species:
- rabbit
- Strain:
- Vienna White
- Details on test animals or tissues and environmental conditions:
- no data available
- Vehicle:
- not specified
- Controls:
- not specified
- Amount / concentration applied:
- 0.1ml
- Duration of treatment / exposure:
- 72 hours
- Observation period (in vivo):
- 72 hours
- Number of animals or in vitro replicates:
- 3
- Details on study design:
- no data available
- Irritation parameter:
- overall irritation score
- Basis:
- mean
- Time point:
- 72 h
- Reversibility:
- not specified
- Remarks on result:
- no indication of irritation
- Irritant / corrosive response data:
- No eye irritation was observed in treated rabbits.
- Interpretation of results:
- other: not irritating
- Conclusions:
- The test substance Alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was estimated to be not irritating into the eyes of Vienna White rabbits. Based on the estimated result alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) can be considered to be not irritating to eye.
- Executive summary:
The ocular irritation potential of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was estimated using OECD QSAR toolbox version 3.3 with logPow as the primary descriptor. The test substance Alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was estimated to be not irritating into the eyes of Vienna White rabbits. Based on the estimated result alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) can be considered to be not irritating to eye and can be classified under the category ˋ Not Classified’ 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" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and "l" )
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aldehydes (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Nucleophilic
addition to alpha, beta-unsaturated carbonyl compounds AND AN2 >>
Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >>
alpha, beta-Unsaturated Aldehydes AND AN2 >> Schiff base formation AND
AN2 >> Schiff base formation >> alpha, beta-Unsaturated Aldehydes by DNA
binding by OASIS v.1.3
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Low reactive AND Low reactive >>
alpha-alkyl cinnamaldehyde derivatives by DPRA Cysteine peptide depletion
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Michael Addition AND Michael
Addition >> alpha,beta-Unsaturated carbonyl compounds AND Michael
Addition >> alpha,beta-Unsaturated carbonyl compounds >>
alpha,beta-Aldehydes AND Schiff base formation AND Schiff base
formation >> Schiff base formation with carbonyl compounds AND Schiff
base formation >> Schiff base formation with carbonyl compounds >>
Aldehydes by Protein binding by OASIS v1.3
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Michael addition AND Michael
addition >> Polarised Alkenes AND Michael addition >> Polarised Alkenes
>> Polarised alkene - aldehydes AND Schiff Base Formers AND Schiff Base
Formers >> Direct Acting Schiff Base Formers AND Schiff Base Formers >>
Direct Acting Schiff Base Formers >> Mono-carbonyls by Protein binding
by OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Michael Addition AND Michael
Addition >> alpha,beta-Unsaturated carbonyl compounds AND Michael
Addition >> alpha,beta-Unsaturated carbonyl compounds >>
alpha,beta-Aldehydes AND Schiff base formation AND Schiff base
formation >> Schiff base formation with carbonyl compounds AND Schiff
base formation >> Schiff base formation with carbonyl compounds >>
Aldehydes by Protein binding by OASIS v1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No alert found OR SN2 OR SN2 >>
Nucleophilic substitution at sp3 carbon atom OR SN2 >> Nucleophilic
substitution at sp3 carbon atom >> Alkyl halides by Protein binding by
OASIS v1.3
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "l"
Similarity
boundary:Target:
CCCCCC(=Cc1ccccc1)C=O
Threshold=80%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 3.28
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.83
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation:
Various studieshas been investigated for the test chemicalalpha-Amyl cinnamaldehyde (CAS No: 122-40-7)to observe the potential for dermal irritation to a greater or lesser extent. The studies are based on in vivo experiments in rabbits, guinea pigs,miniature swineand humans for target chemical-Amyl cinnamaldehyde (CAS No: 122-40-7).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
A primary skin test of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was carried out by Toshio Takenaka, Eiko Hasegawa, Umeko Takenaka, Fumio Saito M. D. and Tazuko Odaka M. D. (1968)by mean of closed patch to examine the degree of skin irritancy caused by the chemical on 108 human subject. In this test, alpha-Amyl cinnamaldehydewas applied to the back, forearm and upper arm of 108 male/female humans in Japan under occlusive condition at a concentration of 0.05-0.5% 24–48 h and the sites evaluated 30 min after the patches were removed. Cream base or ethyl alcohol was used as a vehicle. Only 1 subject showed positive erythema while negative results were observed in remaining subjects (1/108). Thereforealpha-Amyl cinnamaldehyde (CAS No: 122-40-7)was considered to be non-irritant to the skin.
In a prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the skin irritation potential was estimated for test chemicalalpha-Amyl cinnamaldehyde (CAS No: 122-40-7).The chemical alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) is estimated to be not irritating tothe skin of Japanese white strain rabbits.
The MAK Collection for Occupational Health and Safety (2014) carried out skin irritation studies on miniature swineand humans as follows;
The undiluted alpha -amylcinnamaldehyde did not lead to irritation in the miniature swine when applied under occlusive application for 48 hours.
The human study of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was conducted on 50 volunteers.In this study, the test chemical was applied to the skin of each subject for the 48 hours under occlusion and then observed for skin reactions.None of the 50 subjects showed known signs of skin irritation. Hence thealpha-Amyl cinnamaldehyde (CAS No: 122-40-7)was considered to be non irritant to the skin of50 volunteers.
Another skin irritation study of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was reported by NTRL (1991) to determine the degree of irritation the material may produce when applied to the clipped intact and abraded skin of rabbits. On the day prior to the experiment 10% of the total body area or the rabbits was carefully dipped free of hair. Small animal clippers were used since these left the skin undisturbed. On the posterior of the clipped area several minor abrasions were made so as to penetrate the stratum corneum but Dot disturb the derma. This was to prevent bleeding. About 0.5 ml of the chemical was applied to the intact and abraded skin over the 2 x 2 patch area covered with Webril patches and the entire experimental area was covered with surgical tape for 24 hours. Skin reactions were evaluated at 48 and 72 hours according to Draize method. Since the chemical did not induce skin irritating effects when applied to the clipped intact and abraded skin of rabbits. Hencethe test materialalpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was considered as not irritating.
The MAK Collection for Occupational Health and Safety (2014) carried out another skin irritation studies onrabbits and guinea pigs.The undiluted alpha -amylcinnamaldehyde was observed to be strongly and moderately irritative in rabbits and guinea pigs, respectively, after repeated occlusive application for 24 hours.
The last study of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was again reported by NTRL (1991) which followed the similar procedure as mentioned in previous NTRL REPORT but the chemical induce mild skin irritating effects. Hencethe test materialalpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was considered as mild primary irritant when applied to the clipped intact and abraded skin of rabbits.
Although positive skin reactions observed in few references but on the basis of available dataand majority of results obtained in various studies, the chemical alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) can considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Eye irritation:
In different studies,the test chemicalalpha-Amyl cinnamaldehyde (CAS No: 122-40-7) has been investigated for potential for ocular irritationto a greater or lesser extent. The studies are based on in vivo experiments in rabbits for target chemicalalpha-Amyl cinnamaldehyde (CAS No: 122-40-7)its structurally similar read across substancesLilial (CAS No: 80-54-6)andHexyl cinnamic aldehyde (CAS No: 101-86-0).The predicted data using the OECD QSAR toolbox has 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 ocular irritation potential was estimated for test chemical alpha-Amyl cinnamaldehyde (CAS No: 122-40-7).The chemicalalpha-Amyl cinnamaldehyde (CAS No: 122-40-7)is estimated to be not irritating to eyeof Vienna White rabbits.
NTRL (1991) reported two eye irritation studies of alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) to determine if the test material produces any irritation when instilled into rabbits' eyes.
In the first study, about 0.1ml ml of chemical was installed into the right of each albino rabbits while the other untreated eye served as control. The eyes were evaluated every twenty-four hours for tour days and then again on the seventh day. The Installation of chemical did not produce any ocular lesions. Hence the chemical alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was considered as not irritating to the eyes of each rabbits.
The next study followed the similar procedure as mentioned in above test. The Installation of chemical produced a conjunctival irritation with corneal involvement which did not clear on the seventh day of observation period. Hence the chemical alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) was considered as considered as irritating to the eyes of each rabbits.
The above results were further supported by experimental studies conducted by INVENTORY MULTITIERED ASSESSMENT AND PRIORITISATION (IMAP) NICNAS (2017) on twostructurally similar read across substancesLilial (CAS No: 80-54-6)andHexyl cinnamic aldehyde (CAS No: 101-86-0).
An eye irritation study of chemical Lilial (CAS No: 80-54-6) was conducted in three Vienna white rabbits. Each rabbit received undiluted chemical into one of the eye and then observed for ocular lesions. Slight redness in all animals was observed within 24 hours. Redness persisted in one rabbit 48 hours after instillation and disappeared by 72 hours after exposure. No other effects were observed (mean scores for cornea, iris and chemosis were 0).Hence the chemicala Lilial (CAS No: 80-54-6) was considered as not irritating to the eye of each of three Vienna White rabbits.
In case of chemical Hexyl cinnamic aldehyde (CAS No: 101-86-0) an ocular test was performed in three male New Zealand White rabbits according to the EU Method B.5. The undiluted (0.1ml) of chemical was installed into the conjunctival sac of left eye of each rabbit. Observations were made for seven days. Slight conjunctival redness was observed and was reversed in two days. ThereforeTheHexyl cinnamic aldehyde (CAS No: 101-86-0) was considered as not irritating to the eye of each of three New Zealand White rabbits.
Although positive eye reaction was observed in one study but on the basis of available data fortarget chemicalalpha-Amyl cinnamaldehyde (CAS No: 122-40-7)its structurally similar read across substancesLilial (CAS No: 80-54-6)andHexyl cinnamic aldehyde (CAS No: 101-86-0),it can be concluded thatchemical alpha-Amyl cinnamaldehyde (CAS No: 122-40-7) is unable to cause skin irritation and considered as not irritating.Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Justification for classification or non-classification
The skin and eye irritation potential of test chemicalalpha-Amyl cinnamaldehyde (CAS No: 122-40-7)were observed in various studies. The results obtained from these studies indicate that the chemicalalpha-Amyl cinnamaldehydeis unlikely to cause skin and eye irritation. Hencealpha-Amyl cinnamaldehyde (CAS No: 122-40-7)can be classified under the category “Not Classified” for skin and eye as per CLP.
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