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EC number: 203-381-3 | CAS number: 106-29-6
- 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
Toxicity to microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- activated sludge respiration inhibition testing
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Prediction is done using QSAR Toolbox version 3.4
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
- Molecular formula (if other than submission substance): C14H24O2
- Molecular weight (if other than submission substance): 224.342 g/mol
- Smiles notation (if other than submission substance): CCCC(=O)OCC=C(C)CCC=C(C)C
- InChI: 1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
- Substance type: Organic
- Physical state:liquid - Analytical monitoring:
- not specified
- Details on sampling:
- not specified
- Vehicle:
- not specified
- Details on test solutions:
- not specified
- Test organisms (species):
- Tetrahymena pyriformis
- Details on inoculum:
- not specified
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Post exposure observation period:
- not specified
- Hardness:
- no data
- Test temperature:
- 26 deg.C
- pH:
- no data
- Dissolved oxygen:
- no data
- Salinity:
- no data
- Conductivity:
- no data
- Nominal and measured concentrations:
- no data
- Details on test conditions:
- not specified
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 2.338 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- not specified
- Basis for effect:
- growth inhibition
- Details on results:
- not specified
- Results with reference substance (positive control):
- not specified
- Reported statistics and error estimates:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The predicted data from QSAR Toolbox version 3.4 suggests the Inhibition growth concentration (IGC50) for the substance Geranyl butyrate (CAS no.106-29-6) was estimated to be 2.33820653 mg/l on micro organism Tetrahymena pyriformis on the basis of growth inhibition effect in static fresh water.
- Executive summary:
The predicted data from QSAR Toolbox version 3.4 suggests the Inhibition growth concentration (IGC50) for the substance Geranyl butyrate (CAS no.106-29-6) was estimated to be 2.33820653 mg/l on micro organism Tetrahymena pyriformis on the basis of growth inhibition effect in static fresh water.Since the test chemical is readily biodegradable in nature it can be considered as the test substance Geranyl butyrate has no concern for aquatic toxicity.
Reference
The
prediction was based on dataset comprised from the following
descriptors: IGC50
Estimation method: Takes average 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("i"
and "j") )
Domain
logical expression index: "a"
Referential
boundary:The
target chemical should be classified as Esters (Chronic toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary:The
target chemical should be classified as Alkene AND Allyl AND Carboxylic
acid ester AND Terpenes by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary:The
target chemical should be classified as Carboxylic acid ester AND
Overlapping groups AND Terpenes by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary:The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl,
aliphatic attach [-C(=O)-] AND Ester, aliphatic attach [-C(=O)O] AND
Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or
=C<] by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary:The
target chemical should be classified as Carbonic acid derivative AND
Carboxylic acid derivative AND Carboxylic acid ester by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary:The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "g"
Referential
boundary:The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Arenes OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >>
Hydroquinones OR SN1 OR SN1 >> Nitrenium Ion formation OR SN1 >>
Nitrenium Ion formation >> Aromatic nitro OR SN1 >> Nitrenium Ion
formation >> Primary aromatic amine OR SN1 >> Nitrenium Ion formation >>
Secondary aromatic amine OR SN2 OR SN2 >> SN2 at an sp3 Carbon atom OR
SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides by DNA binding by
OECD
Domain
logical expression index: "h"
Referential
boundary:The
target chemical should be classified as Not bioavailable by Lipinski
Rule Oasis ONLY
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 5.15
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 5.93
Description of key information
The predicted data from QSAR Toolbox version 3.4 suggests the Inhibition growth concentration (IGC50) for the substance Geranyl butyrate (CAS no.106-29-6) was estimated to be 2.33820653 mg/l on micro organism Tetrahymena pyriformis on the basis of growth inhibition effect in static fresh water.Since the test chemical is readily biodegradable in nature it can be considered as the test substance Geranyl butyrate has no concern for aquatic toxicity.
Key value for chemical safety assessment
- EC50 for microorganisms:
- 2.33 mg/L
Additional information
Predicted model data and Experimental study result of toxicity to micro organism for the target chemical Geranyl butyrate (CAS no.106-29-6) were reviewed to summarize the following information:
From predicted model the 48 hrs aquatic toxicity study was predicted to assess toxic effects of the test compound Geranyl butyrate (CAS no.106-29-6) and the result were predicted (SSS QSAR Prediction model, 2016). The study was based on the effects of the test compound on Tetrahymena pyriformis micro organism in a static fresh water system. The predicted data suggests the Inhibition growth concentration (IGC50) for the test compound was estimated to be 2.33820653 mg/l on the basis of growth inhibition effect. Since the test chemical is readily biodegradable in nature it can be considered as the test substance Geranyl butyrate has no concern for aquatic toxicity.
And read across Butyl acetate (Cas no. 123-86-4) in experimental study indicate that the toxicity study for micro organism Uronema parduczi (Ciliate) was conduct for exposure period 20 hrs. the effect concentration was observed to be 574 mg/l on the basis of population effect. (ECOTOX database; 2016)
Thus based on the above available studies it is concluded that the test substance Geranyl butyrate (CAS no.106-29-6) have no concern for micro organism toxicity.
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