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EC number: 205-472-3 | CAS number: 141-24-2
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 09 May- 6 Jun 1988
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Qualifier:
- according to guideline
- Guideline:
- other: BODIS Test, according to ISO/DIS 10708 (based on the OECD301D Closed Bottle Test and the RDA-Blok-test, previously published (Blok, 1979. "A Repetitive Die Away (RDA) test combining several biodegradability test procedures". Int.Biodeterior.Bull. 15,57-63
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 D (Ready Biodegradability: Closed Bottle Test)
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, non-adapted
- Details on inoculum:
- - Source of inoculum/activated sludge: The activated sludge was collected from a sewage treatment plant (Hochdahl), treating predominantly municipal sewage serving for a population equivalent of ca. 27000.
- Duration of test (contact time):
- 28 d
- Initial conc.:
- 100 mg/L
- Based on:
- ThOD
- Parameter followed for biodegradation estimation:
- O2 consumption
- Details on study design:
- TEST CONDITIONS- Composition of medium: According to OECD guideline- Test temperature: 20- 25 °C- Aeration of dilution water: yes, up to 9 mg O2/LTEST SYSTEM- Culturing apparatus: 300 mL bottles- Number of culture flasks/concentration: 3- Method used to create aerobic conditions: the bottles were aerated with compressed air by means of a sintered glass tube until O2 saturation was reached SAMPLING- Sampling frequency: samples were collected on days 7, 14, 21 and 28CONTROL AND BLANK SYSTEM- Inoculum blank: 1
- Reference substance:
- benzoic acid, sodium salt
- Key result
- Parameter:
- % degradation (O2 consumption)
- Value:
- 87
- Sampling time:
- 28 d
- Details on results:
- The test substance reached 87% biodegradation after 28 days, meeting the 10-d window criterion. Therefore, it can be considered readily biodegradable.
- Results with reference substance:
- Sodium acetate reached 86% biodegradation within 14 days.
- Validity criteria fulfilled:
- yes
- Interpretation of results:
- readily biodegradable
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Qualifier:
- according to guideline
- Guideline:
- other: EPA-560/6-82-003 (PB82-233008) adopted in 1982
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Deviations:
- yes
- Remarks:
- adapted inoculum was used
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- sewage, domestic, adapted
- Details on inoculum:
- - Pretreatment: Inoculum: 1000 ml DIW dissolves 1 g of organic matter rich soil, 2 mL of activated (aerated) sewage mixed liquor, 50 mL of raw domestic sewage water, 25 mg/L of Difco vitamin-free casamino acids, 25 mg/L of yeast extract and 1 mL of each medium stock solution (1 -3). Test substance were added at concentrations equivalent to 4,8, and 8 mg carbon/L by calculation on days 0, 7, 11, respectively. At day 14, the inoculum was filtered through glass wool.
- Duration of test (contact time):
- 28 d
- Initial conc.:
- 10 mg/L
- Based on:
- other: TOC
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- TEST CONDITIONS- Composition of medium: Stock solution 1: 35 g/L NH4Cl, 15 g/L KNO3, 75 g/L K2HPO4.3H2O, 25 g/L Na2HPO4.H2O; Stock solution 2: 10 g/L KCl, 20 g/L MgSO4/FeSO4.7H2O; Stock solution 3: 5 g/L CaCl2, 0.05 g/L ZnCl2, 0.5 g/L MnCl2.4H2O, 0.05 g/L CuCl2, 0.001 g/L CoCl2, 0.001 g/L H2BO3, 0.0004 g/L MoO2- Additional substrate: Difco vitamin-free caamino acids, yeast extract- Test temperature: not specified- Continuous darkness: yes- Other: The test vessels were stirred throughout the test.TEST SYSTEM- Culturing apparatus: 2L Erlenmeyer flask contasining 1 L test solution- Number of culture flasks/concentration: not specified- Method used to create aerobic conditions: After inoculation, the test flasks are sparged with CO2 free air.- Measuring equipment: Titration method- Details of trap for CO2 and volatile organics if used: A reservoir holding 10 mL of barium hydroxide solution is suspended in the flask to trap CO2. SAMPLING- Sampling frequency/method: On day 0, 7, 14 and 21, 10 mL of Ba(OH)2 plus 10 mL rinsing water (DIW) were removed for CO2 measurement by titration with 0.1 N HCl to the phenolphthalein end point. The reservoir is refilled with fresh Ba(OH)2. 3 mL of 20% H2SO4, are added on the day prior to terminating the test.
- Reference substance:
- other: Phillips 2-D reference fuel
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 88.49
- Sampling time:
- 28 d
- Remarks on result:
- other: Rape methyl ester
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- 85.54
- Sampling time:
- 28 d
- Remarks on result:
- other: Soyate methyl ester
- Details on results:
- Rape methyl ester:7d: 66.32%14d: 80.72%Soyate methyl ester:7d: 68.4%14d: 77.83%
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- inherently biodegradable
- Endpoint:
- biodegradation in water: screening tests
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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 adequate and reliable documentation / justification
- Justification for type of information:
- see QMRF in "overall remarks" and the QPRF in "executive summary"
- Principles of method if other than guideline:
- Calculation based on BIOWIN v4.10, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
- GLP compliance:
- no
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge (adaptation not specified)
- Details on results:
- For detailed description on the model and its applicability, see "Any other information on materials and methods incl. tables".
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Executive summary:
QPRF: BIOWIN v4.10
1.
Substance
See “Test material identity”
2.
General information
2.1
Date of QPRF
See “Data Source (Reference)”
2.2
QPRF author and contact details
See “Data Source (Reference)”
3.
Prediction
3.1
Endpoint
(OECD Principle 1)Endpoint
Biodegradability
Dependent variable
Biodegradability
3.2
Algorithm
(OECD Principle 2)Model or submodel name
BIOWIN
Model version
v. 4.10
Reference to QMRF
QMRF: Estimation of Aerobic Biodegradability using BIOWIN v4.10 (EPI Suite v4.11): BIOWIN1 to BIOWIN6 and Ready Biodegradability Prediction
Predicted value (model result)
See “Results and discussion”
Input for prediction
- Chemical structure via CAS number or SMILES
Descriptor values
- Structure fragments
- Molecular weight
3.3
Applicability domain
(OECD principle 3)Domains (Appendix D, On-Line BIOWIN User’s Guide):
1) Molecular weight
See below (Assessment of estimation domain)
2) Fragments:
See below (Assessment of estimation domain)
3.4
The uncertainty of the prediction
(OECD principle 4)Parameter
BIOWIN model
1
2
3
4
5
6
Total correct
264 / 295
275 / 295
167 / 200
165 / 200
485 / 589
488 / 589
% correct, total
89.5
93.2
83.5
82.5
82.3
82.9
% correct, fast
97.3 (181 / 186)
97.3 (181 / 186)
93.5 (101 / 108)
84.9 (101 / 119)
79.1 (201 / 254)
80.3 (204 / 254)
3.5
The chemical mechanisms according to the model underpinning the predicted result
(OECD principle 5)The chemical structure influences the biodegradability of the substance. Therefore, chemical fragments were selected having a potential effect on biodegradability. In order to be able to predict the biodegradability probability of substances without these specific fragments, the molecular weight was integrated into the models.
References
- US EPA (2012). On-Line BIOWIN User’s Guide.
Model:
BIOWIN v4.10
Substance:
9-Octadecenoic acid, 12-hydroxy-, methyl ester, R-(Z) -
CAS-#:
141-24-2
SMILES:
O=C(OC)CCCCCCCC=CCC(O)CCCCCC
Molecular weight (g/mol):
312,50
AppendixD - Fragment Coefficients for Biodegradation Models
BIOWIN1 and BIOWIN2: Linear / Non-Linear Biodegradability
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceLinear
Non-linear
Min
Max
No. of compounds in training set containing the fragment
.
Linear C4 terminal chain [CCC-CH3]
0,10843
1,8437
-
3
44
1
Aliphatic alcohol [-OH]
0,15873
1,1178
-
3
34
1
Ester [-C(=O)-O-C]
0,17418
4,0795
-
3
23
1
Molecular Weight
---
---
31,06
697,7
in range
.
BIOWIN3 and BIOWIN4: Ultimate / Primary biodegradability
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceUltimate
Primary
Min
Max
No. of compounds in training set containing the fragment
.
Linear C4 terminal chain [CCC-CH3]
0,29834
0,26907
-
3
26
1
Aliphatic alcohol [-OH]
0,15997
0,12945
-
4
18
1
Ester [-C(=O)-O-C]
0,14021
0,22896
-
4
25
1
Molecular Weight
---
---
53,06
697,65
-
in range
BIOWIN5 and BIOWIN6: MITI Biodegradability Coefficients (Linear / Non-Linear)
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceLinear
Non-Linear
Min
Max
No. of compounds in training set containing the fragment
.
Aliphatic alcohol [-OH]
0,161139
1,004147
-
5
74
1
Ester [-C(=O)-O-C]
0,343735
2,446162
-
3
46
1
Methyl [-CH3]
0,000411
0,019428
-
9
295
2
-CH2- [linear]
0,049416
0,429494
-
51
214
13
-CH- [linear]
-0,05067
-0,09977
-
4
63
1
-C=CH [alkenyl hydrogen]
0,006189
0,028514
-
9
68
2
Molecular Weight
---
---
30,02
959,2
-
in range
.
BIOWIN7: Anaerobic Biodegradation Coefficients
Fragment description
Coefficient
Training set fragment count
No. of instances
of each bond
found for the
current substanceMin
Max
No. of compounds in training set containing the fragment
Linear C4 terminal chain [CCC-CH3]
-0,31772
---
-
3
41
1
Aliphatic alcohol [-OH]
0,132763
---
-
5
27
1
Ester [-C(=O)-O-C]
0,171852
---
-
3
13
1
Methyl [-CH3]
-0,07957
---
-
4
86
2
-CH2- [linear]
0,025989
---
-
44
67
13
-CH- [linear]
-0,16585
---
-
2
17
1
-C=CH [alkenyl hydrogen]
-0,07352
---
-
11
15
2
Molecular Weight
---
---
46,07
885,46
in range
Referenceopen allclose all
Table 1: Biodegradation in % calculated on the basis of ThOD (reference substance) and COD (test substance)
Day | Test substance | Reference substance |
7 | 62 | 75 |
14 | 77 | 86 |
21 | 81 | 89 |
28 | 87 | 94 |
BIOWIN v4.10 Results
Biowin1 (Linear Model Prediction): Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Days-Weeks
Biowin4 (Primary Biodegradation Timeframe): Days
Biowin5 (MITI Linear Model Prediction): Biodegrades Fast
Biowin6 (MITI Non-Linear Model Prediction): Biodegrades Fast
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE |
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.1084 | 0.2169 |
Frag | 1 | Aliphatic alcohol [-OH] | 0.1587 | 0.1587 |
Frag | 1 | Ester [-C(=O)-O-C] | 0.1742 | 0.1742 |
MolWt | * | Molecular Weight Parameter |
| -0.1488 |
Const | * | Equation Constant |
| 0.7475 |
RESULT |
| Biowin1 (Linear Biodeg Probability) |
| 1.0401 |
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE |
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 1.8437 | 1.8437 |
Frag | 1 | Aliphatic alcohol [-OH] | 1.1178 | 1.1178 |
Frag | 1 | Ester [-C(=O)-O-C] | 4.0795 | 4.0795 |
MolWt | * | Molecular Weight Parameter |
| -4.4375 |
RESULT |
| Biowin2 (Non-Linear Biodeg Probability) |
| 0.9964 |
TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE |
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.2983 |
Frag | 1 | Aliphatic alcohol [-OH] | 0.1600 | 0.1600 |
Frag | 1 | Ester [-C(=O)-O-C] | 0.1402 | 0.1402 |
MolWt | * | Molecular Weight Parameter |
| -0.6906 |
Const | * | Equation Constant |
| 3.1992 |
RESULT |
| Biowin3 (Survey Model – Ultimate Biodeg) |
| 3.1071 |
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE |
Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.2691 | 0.2691 |
Frag | 1 | Aliphatic alcohol [-OH] | 0.1294 | 0.1294 |
Frag | 1 | Ester [-C(=O)-O-C] | 0.2290 | 0.2290 |
MolWt | * | Molecular Weight Parameter |
| -0.4509 |
Const | * | Equation Constant |
| 3.8477 |
RESULT |
| Biowin4 (Survey Model - Primary Biodeg) |
| 4.0244 |
TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE |
Frag | 1 | Aliphatic alcohol [-OH] | 0.1611 | 0.1611 |
Frag | 1 | Ester [-C(=O)-O-C] | 0.3437 | 0.3437 |
Frag | 2 | Methyl [-CH3] | 0.0004 | 0.0008 |
Frag | 13 | -CH2- [linear] | 0.0494 | 0.6424 |
Frag | 1 | -CH- [linear] | -0.0507 | -0.0507 |
Frag | 2 | -C=CH [alkenyl hydrogen] | 0.0062 | 0.0124 |
MolWt | * | Molecular Weight Parameter |
| -0.9297 |
Const | * | Equation Constant |
| 0.7121 |
RESULT |
| Biowin5 (MITI Linear Biodeg Probability) |
| 0.8923 |
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE |
Frag | 1 | Aliphatic alcohol [-OH] | 1.0041 | 1.0041 |
Frag | 1 | Ester [-C(=O)-O-C] | 2.4462 | 2.4462 |
Frag | 2 | Methyl [-CH3] | 0.0194 | 0.0389 |
Frag | 13 | -CH2- [linear] | 0.4295 | 5.5834 |
Frag | 1 | -CH- [linear] | -0.0998 | -0.0998 |
Frag | 2 | -C=CH [alkenyl hydrogen] | 0.0285 | 0.0570 |
MolWt | * | Molecular Weight Parameter |
| -9.0214 |
RESULT |
| Biowin6 (MITI Non-Linear Biodeg Probability) |
| 0.9265 |
Description of key information
Readily biodegradable: 87% in 28 days (ISO 10708, read across)
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
Experimental studies investigating the ready biodegradability of Methyl ricinoleate (CAS 141-24-2) are not available. Thus, the biodegradation assesment is based on available data for the structurally similar source substance Fatty acids, C16-18 and C18-unsatd., Me esters (CAS 67762-38-3) in a read across approach as well as supporting experimental and QSAR data.
The key study with Fatty acids, C16-18 and C18-unsatd., Me esters was conducted according to ISO guideline 10708 (BODIS test) under aerobic conditions using non-adapted activated sludge as inoculum (BASF, 2001). An initial test concentration of 100 mg/L (ThOD) was applied. Based on O2 consumption a mean degradation of 87% was observed after 28 days. The 14-day window was passed. Hence, the substance is readily biodegradable according to OECD criteria. Based on the structural similarity this conclusion is also considered to be true for methyl ricinoleate.
This assumption is supported by QSAR calculations using BIOWIN 4.1 (prediction: readily biodegradable) and additional experimental data for soyate and rape methyl ester, which confirm the rapid biodegradability, however using adapted inoculum.
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