Registration Dossier
Registration Dossier
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 220-977-9 | CAS number: 2956-12-9
- 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 aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction:US EPA accepted QSAR method for chemicals properties assessment.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR model
- Principles of method if other than guideline:
- ECOSAR Program(v1.00)
- GLP compliance:
- no
- Analytical monitoring:
- no
- Vehicle:
- no
- Test organisms (species):
- other: QSAR model
- Details on test organisms:
- not applicable. QSAR model
- Test type:
- other: QSAR model
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 30 d
- Test temperature:
- not applicable. QSAR model
- pH:
- not applicable. QSAR model
- Dissolved oxygen:
- not applicable. QSAR model
- Salinity:
- not applicable. QSAR model
- Nominal and measured concentrations:
- not applicable. QSAR model
- Details on test conditions:
- SMILES : O(C(=S)SCC=C)CCCCC
CHEM : Carbonic acid, dithio-, S-allyl O-pentyl ester
CAS Num: 2956-12-9
MOL FOR: C9 H16 O1 S2
MOL WT : 204.35
Log Kow: 3.329 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 59.63 (mg/L, EPISuite WSKowwin v1.43 Estimate) - Reference substance (positive control):
- no
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 2.842 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- not specified
- Basis for effect:
- not specified
- Duration:
- 30 d
- Dose descriptor:
- NOEC
- Effect conc.:
- 1.122 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- not specified
- Basis for effect:
- not specified
- Remarks on result:
- other: NOEC cited as a ChV value
- Details on results:
- Green Algae, 96-hr EC50 =2.842 mg/L (ppm)
Green Algae, 30-day, NOEC cited as a ChV value = 1.122 mg/L(ppm) - Validity criteria fulfilled:
- yes
- Remarks:
- method for chemicals properties assessment.
- Conclusions:
- Green Algae, 96-hr EC50 =2.842 mg/L (ppm)
Green Algae, 30-day, NOEC cited as a ChV value = 1.122 mg/L(ppm) - Executive summary:
The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 1.122 mg/L (ppm) Green Algae.
The ECOSAR QSAR model predicts that 96-hr EC50 value would to be 2.842 mg/L (ppm) for Green Algae.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- other: published data
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- Carbon disulphide (CAS number 75–15–0) is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- GLP compliance:
- yes
- Analytical monitoring:
- not specified
- Vehicle:
- no
- Test organisms (species):
- Chlorella pyrenoidosa
- Details on test organisms:
- SPECIES #
(NAME): 426 Chlorella pyrenoidosa (Green Algae)
AGE: NR NR
LIFE STAGE: not reported, unknown
COMMENT: 10E+8 CELLS/100 ML - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 96 h
- Hardness:
- 90 mg CaCO3/L
- Test temperature:
- 20 ± 1 °C
- pH:
- 8.7 ± 0.2
- Dissolved oxygen:
- NR
- Salinity:
- NR
- Details on test conditions:
- The test was carried out in sealed flasks to prevent evaporation of CS2.
The medium contained major salts, urea, Ca-glycerophosphate, dextrose and trace elements. The complete composition of the test medium is given in Van Leeuwen and Maas, Environ. Pollution A37: 105-115 (1985).
The starting density of the cells was 1E5 cells/mL. The volume of test medium was 100 mL per flask. The medium was shaken under fluorescent light (7.5 W/m2). - Reference substance (positive control):
- no
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 21 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 56.37 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: On a molecular weight scaled basis, the EC50 would be 56.37 mg/l. (21 x 204.35) /76.13 =56.37 mg/l
- Details on results:
- Carbon disulphide (CAS number 75–15–0) is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate. Comparable metabolism would occur.Therefore, the health effects of carbon disulphide (CS2) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate
On a molecular weight scaled basis, the EC50 would be 56.37 mg/l. (21 x 204.35) /76.13 =56.37 mg/l - Reported statistics and error estimates:
- no data
- Validity criteria fulfilled:
- yes
- Conclusions:
- The 96-h EC50 of CS2 for the alga Chlorella pyrenoidosa in sealed flasks was 21 mg/L, based on the inhibition of growth rate.
Carbon disulphide (CAS number 75–15–0) is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate. Comparable metabolism would occur.Therefore, the health effects of carbon disulphide (CS2) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate
On a molecular weight scaled basis, the EC50 would be 56.37 mg/l. (21 x 204.35) /76.13 =56.37 mg/l - Executive summary:
Carbon disulphide (CAS number 75–15–0) is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, Carbon disulphide (CAS number 75–15–0) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate. Comparable metabolism would occur.Therefore, the health effects of carbon disulphide (CS2) need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate
On a molecular weight scaled basis, the EC50 would be 56.37 mg/l. (21 x 204.35) /76.13 =56.37 mg/l
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- other: published data
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- Pentan-1-ol/Amyl alcohol is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, pentan-1-ol/Amyl alcohol need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 201 (Alga, Growth Inhibition Test)
- Principles of method if other than guideline:
- cell growth inhibition test
- GLP compliance:
- no
- Analytical monitoring:
- no
- Vehicle:
- no
- Test organisms (species):
- Scenedesmus quadricauda
- Details on test organisms:
- BREEDING OF TEST ORGANISMS
- species: Scenedesmus quadricauda
- 100 ml Erlenmeyer flask with 20 ml nutrient solution
- relative humidity 50 %
- renewal of preparatory culture every 10 days
- temperature 27 °C
- illuminated permanent and protected against daylight - Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 8 d
- Test temperature:
- 27 deg C
- pH:
- pH: adjusted to pH 7
- Details on test conditions:
- TEST PROCEDURE
- test vessels: Kabsenberg test tubes
- test volume: 10 ml
- pH: adjusted to pH 7
- daily shaken
- temperature: 27 °C
- cell culture: 5 ml algae suspension per test flask (turbidity 20 formazine nephelometric units)
- number of replicates: 3
- measurement of extinction: Hg 578 nm
- test criterion: cell multiplication inhibition (calculated by measuring the extinction) - Reference substance (positive control):
- no
- Duration:
- 8 d
- Dose descriptor:
- EC5
- Effect conc.:
- 260 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: cell multiplication inhibition (calculated by measuring the extinction)
- Duration:
- 8 d
- Dose descriptor:
- other: TTC (toxic threshold concentration) = TGK (Toxische Grenzkonzentration) which is comparable with EC5
- Effect conc.:
- 260 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Details on results:
- A 8d EC5 of 260 mg/L has been determined for the effects of the test substance (Amyl Alcohol ) on growth rate effect of the Scenedesmus quadricauda .
- Validity criteria fulfilled:
- yes
- Conclusions:
- A 8d EC5 of 260 mg/L has been determined for the effects of the test substance (Amyl Alcohol ) on growth rate effect of the Scenedesmus quadricauda .
Pentan-1-ol/Amyl alcohol is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore, pentan-1-ol/Amyl alcohol need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate. - Executive summary:
A 8d EC5 of 260 mg/L has been determined for the effects of the test substance (Amyl Alcohol ) on growth rate effect of the Scenedesmus quadricauda .
Pentan-1-ol/Amyl alcohol is both reagents used in the manufacture of S-allyl O-pentyl dithiocarbonate. Therefore,pentan-1-ol/Amyl alcohol need to be considered in the assessment of S-allyl O-pentyl dithiocarbonate.
Referenceopen allclose all
Overview of QSARs estimations onaquatic toxicity of S-allyl O-pentyl dithiocarbonate
Green algae
Method
|
Results |
Remarks |
Reference |
QSAR estimate |
Green Algae, 96-hr EC50 =2.842 mg/L (ppm) Green Algae, 30-day, NOEC cited as a ChV value = 1.122 mg/L(ppm) |
Reliable with restrictions, QSAR estimated data |
ECOSAR Program (v1.00) |
Green Algae, 96-hr EC50 =2.842 mg/L (ppm)
Green Algae, 30-day, NOEC cited as a ChV value = 1.122 mg/L(ppm)
Description of key information
The ECOSAR QSAR model predicts that 30-day, NOEC cited as a ChV value would to be 1.122 mg/L (ppm) Green Algae.
The ECOSAR QSAR model predicts that 96-hr EC50 value would to be 2.842 mg/L (ppm) for Green Algae.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 2.842 mg/L
- EC50 for marine water algae:
- 0.284 mg/L
- EC10 or NOEC for freshwater algae:
- 1.122 mg/L
- EC10 or NOEC for marine water algae:
- 0.112 mg/L
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
