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EC number: 209-691-5 | CAS number: 590-86-3
- 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
Key value for chemical safety assessment
Skin sensitisation
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (sensitising)
- Additional information:
No skin sensitisation tests could be identified for isovaleraldehyde (3-methylbutyraldehyde).
For several other short chain aldehydes comparable in size, skin sensitisation tests were conducted. These results will be used for the assessment of the skin sensitising potential of isovaleraldehyde in a read across approach. General conditions and results of these tests are listed in the table below.
Sensitisation tests with aldehydes (ordered by aldehyde size)
Study
Substance
Reliability
GLP
Test type
Guideline
Results
Interpretation
BASF AG
2004Propionaldehyde
2
yes
LLNA
OECD 429
Test conc.: 1%, 3%, 10%
SI (10%) = 1.16
Part of the ear (administr. site) was cut out to assess irritation, slight irritation was noticed
negative;
not sensitisingNote: low test concentration due to irritating properties
RCC / Celanese
1999Propionaldehyde
1
yes
GPMT
(Magn/Kligm)OECD 406
Epidermal induction: 30%
Challenge conc.: 30%
24h: 8/10; 48h: 8/10
Rechallenge conc.: 30%
24h: 0/10; 48h: 4/10positive;
strong sensitisingBio/dynamics / Celanese 1981
Propionaldehyde
2
no
GPMT
(Bühler)OECD 406
Epidermal induction: 50%
Challenge conc.: 25%
24h: 0/20; 48h: 0/20
Rechallenge conc.: 40%
24h: 1/19; 48h: 1/19equivocal response
Celanese
1981Butyraldehyde
2
(slight deviations from guideline)no
GPMT
(Bühler)OECD 406
Epidermal induction: 50%
Challenge conc.: 10%
24h: 0/20; 48h: 0/20
Rechallenge conc.: 25%
24h: 2/20; 48h: 1/20negative
(only low sensitising potential)NTP
1990Isobutyraldehyde
(2-Methylpropionaldehyde)2 (?)
(no valid test protocol accord. to EU regulations)no data
MEST
-
Induction conc.: 3 to 30%
Challenge conc.: 30%
(direct dermal application (25µL) for 5 consecutive daysnegative;
not sensitisingDow
20082-Methybutyraldehyde
2
(slight deviations from guideline)yes
LLNA
OECD 429
Test conc.: 10%, 25%, 100%
SI (100%) = 4.4; EC3 = 70%positive;
weakly sensitisingNote: no consecutive test concentration
Hüls AG
19973,5,5-trimethylhexanal
(isononanal)1
yes
GPMT
(Magn/Kligm)OECD 406
Epidermal induction: 100%
Challenge conc.: 30%
48h: 10/10; 72h: 6/10positive;
strong sensitisingFabjan and Hulzebos addressed the skin sensitising properties of aldehydes, problems encountered with the different test systems, and classification under REACH. Several SAR of aldehydes for skin sensitisation were evaluated, and applicability of SARs and structural alerts for skin sensitisation in the REACH framework was elucidated. Results from standard sensitisation tests, i.e. the Local Lymph Node Assay (LLNA; method OECD 429), Guinea pig maximization test (OECD 406), and the Buehler test (OECD 406) on a variety of structurally different aldehydes were taken into consideration.
The Schiff base training set contains aldehydes which all gave positive results, either in the LLNA or GPMT/Buehler test. For read across purposes some of the saturated short chain aldehydes are tabulated below.
Name
CAS #
Sensitisation
Reference
LLNA
GPMT/Bue
C1
Formaldehyde
50-00-0
+ (0.70%)
+
Gerberick (2004)
C3
Propionaldehyde
123-38-6
n.i.
+
Cronin & Basketter (1994)
C4
Butyraldehyde
123-72-8
n.i.
+
ECB (2000g)
C4
Glutaraldehyde
111-30-8
+ (0.1%)
n.i.
Gerberick (2004)
C6
Hexanal
66-25-1
+ (45%)
n.i.
Patlewicz (2004)
C8
2-ethylbutyraldehyde
97-96-1
+ (68.15%)
n.i.
Patlewicz (2002)
C12
2-methylundecanal
110-41-8
+ (6.8%)
n.i.
Patlewicz (2002)
+ = positive; n.i. = no information;Formaldehyde,Glutaraldehyde: classified sensitiser; EC 1272/2008
References relate to Fabjan & Hulzebos (2008) Toxicology in vitro 22:468-490
According to the authors, all substances in the training and external set were classified as sensitising. Differences in potency were observed, but the cause for this is generally difficult to determine. For aldehydes the log Kow descriptor did not improve the definition of the domain. It is assumed that substances which fit within the domain of proposed alerts (“Schiff base”) may be classified as sensitising according to EU C&L rules (EC, 2001).
Overall, the authors stated that, in general, a compound which is able to cause contact allergy must have electrophilic properties (or metabolism generates electrophilic metabolites). The most common electrophile-nucleophile reactions involved in skin sensitisation are Michael-type reactions, Schiff-base formation, and nucleophilic substitution reactions. Simple aliphatic aldehydes undergo Schiff base formation, and these require classification according to the EU classification system under REACH, though they generally are weak sensitisers which are often not detected in the LLNA but in Guinea pig tests (Fabjan and Hulzebos, 2008).
To conclude, a distinct skin sensitisation test for isovaleraldehyde is not available. Thus based on evidence obtained by cross reading from other related aliphatic aldehydes, isovaleraldehyde is assessed to be a weak skin sensitizer. This is supported by basic chemical properties of aldehydes forming Schiff bases with proteins which in turn can induce an immune response.
Migrated from Short description of key information:
Isovaleraldehyde is assumed to be skin sensitising.
Respiratory sensitisation
Endpoint conclusion
- Additional information:
- Migrated from Short description of key information:
No data located.
Justification for classification or non-classification
Cross reading to related C3 to C9 aldehydes indicate, that isovaleraldehyde is weakly skin sensitizing (see above Skin sensitisation - Discussion). Under Directive 67/548/ECC, isovaleraldehyde requires classification as skin sensitising with R 43 (May cause sensitisation by skin contact) and under Regulation (EC) No. 1272/2008 as skin sensitiser - Category 1.
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