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EC number: 239-938-2 | CAS number: 15834-05-6
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- 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
- Principles of method if other than guideline:
- BioWin v4.10. Biowin runs 7 models: Biowin1 = linear probability model (Howard et al. (1992)); Biowin2 = nonlinear probability model (Howard et al. (1992)); Biowin3 = expert survey ultimate biodegradation model (Boethling et al. (1994)); Biowin4 = expert survey primary biodegradation model (Boethling et al. (1994)); Biowin5 = MITI linear model (Tunkel et al. (2000)); Biowin6 = MITI nonlinear model (Tunkel et al. (2000)) and Biowin7 = anaerobic biodegradation model (Meylan et al. (2007)). Howard, P.H., Boethling, R.S., Stiteler, W.M., Meylan, W.M., Hueber, A.E., Beauman, J.A., Larosche, M.E. 1992. Predictive model for aerobic biodegradability developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem. 11:593-603. Boethling, R.S., Howard, P.H., Meylan, W., Stiteler, W., Beaumann, J., Tirado, N. 1994. Group contribution method for predicting probability and rate of aerobic biodegradation. Environ. Sci. Technol. 28:459-65. Tunkel, J., Howard, P.H., Boethling, R.S., Stiteler,W., Loonen, H. 2000. Predicting Ready Biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ. Toxicol. Chem. 19:2478-2485. Meylan, W., Boethling, R.S., Aronson, D., Howard, P., Tunkel, J. 2007. Chemical structure-based predictive model for methanogenic anaerobic biodegradation potential. Environ. Toxicol. Chem. 26:1785-1792
- Details on study design:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Based on the outcome of the QSAR models, it can be concluded that the substance can be regarded as readily biodegradable.
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Well documented study according to OECD guidelines.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
- Deviations:
- yes
- Remarks:
- no toxicity test performed with inoculumn
- GLP compliance:
- no
- Remarks:
- The test was performed in accordance with the ISO/IEC 170125
- Specific details on test material used for the study:
- Standard production
- Oxygen conditions:
- aerobic
- Inoculum or test system:
- activated sludge, domestic, adapted
- Details on inoculum:
- The active sludge used as inoculum, was collected directly from oxidation tank of the waste water treatment plant of Novara (Acqua Novara VCO Spa). The sludge was collected the day of the start of the test, the pH was 7,1 and the concentration of total solids was about 7 g/l. In laboratory the sludge was diluted with deionised water until a final concentration of 1,20g/l and kept in aeration for about 5 hours. At the end of the aeration period the diluted sludge was used directly as inoculum. A volume of 100ml of sludge (0,120g of total solids) is added to each reactor.
- Duration of test (contact time):
- 28 d
- Initial conc.:
- ca. 33 mg/L
- Based on:
- ThCO2
- Parameter followed for biodegradation estimation:
- CO2 evolution
- Details on study design:
- Apparatus
The apparatus used is the same described in OECD 301 B. The total volume of aqueous medium + inoculum was 3000ml in each reactor. The test is carried out at room temperature.
Test Set Up
A total of 6 reactors were used: 2 blanks, without test sample for the determination of the background respiration, 2 test samples with TMP-PA and 2 positive control with cellulose. The reactors were filled up to a total volume of 3000ml with deionised water with phosphate buffer and mineral salts, as described in OECD 301 B guideline, and 100 ml of the inoculum. - Reference substance:
- acetic acid, sodium salt
- Key result
- Parameter:
- % degradation (CO2 evolution)
- Value:
- ca. 83.06
- St. dev.:
- 4.2
- Sampling time:
- 28 d
- Remarks on result:
- other: Readily biodegradable
- Details on results:
- The biodegradation (% B) is calculated by dividing the total CO2 production (minus the blank production) per the theoretical CO2 (ThCO2), that is the maximum amount of CO2 that the sample would evolve if all the organic carbon content is oxidized to CO2.
% B = [(CO2) c -(CO2) b / ThCO2] 100
where :
(CO2) c mg of CO2 evolved from the test material reactor
(CO2) b mg of CO2 evolved from the blank reactor
ThCO2 mg of theoretical CO2 - Results with reference substance:
- At the end of the test, after 28 days, an absolute biodegradation of 77.71% was obtained for with the sodium acetate.
- Validity criteria fulfilled:
- yes
- Remarks:
- The difference among the replicates was less than 20%. The positive control reached the pass level. The total CO2 evolution in the inoculum blank at the end of the test was below 40 mg/l medium
- Interpretation of results:
- readily biodegradable
- Conclusions:
- At the end of the test (after 28 days) the biodegradation of the Neopentyl Glycol Dipelargonate was 83,06 (± 4,21) and on the basis of the obtained result it can be declared “Readily Biodegradable”.
- Executive summary:
The determination of the biodegradation in an aqueous medium of Neopentyl Glycol Dipelargonate (lot numberAH1101.01) was carried out according to test method OECD 301 B (modified sturm test), and had a duration of 28 days. The test was carried out at room temperature (°C± 2), in parallel sodium acetate (CH3COONa, soluble) was tested aspositive control. The used inoculum was active, in fact the positive control reached a biodegradation of about 78% at the end of the test. The biodegradation of the tested substance and sodium acetate started immediately. The test exceeded the validity criteria reported in OECD 301 B. In accordance with the guideline, the Neopentyl Glycol Dipelargonate can be claimed as “Readily Biodegradable”: it reached a 60% biodegradation within the 28 days, especially it reached this level in the 10 days window starting from the 10% of biodegradation.
At the end of the test, after 28 days, Neopentyl Glycol Dipelargonate reached an absolute biodegradation of 83,06% , with the sodium acetate at 77,71%.
At the end of the test (after 28 days) the biodegradation of the tested substance was ca. 83 and on the basis of the obtained result it can be declared “Readily Biodegradable”.
Referenceopen allclose all
All functional groups and fragments of Neopentyl Glycol Dipelargonate are present in the training set, so this substance falls within the applicability domain of the QSAR.
--------------------------- BIOWIN v4.10 Results ----------------------------
Biowin1 (Linear Model Prediction) : Biodegrades Fast
Biowin2 (Non-Linear Model Prediction): Biodegrades Fast
Biowin3 (Ultimate Biodegradation Timeframe): Weeks
Biowin4 (Primary Biodegradation Timeframe): Days
Biowin5 (MITI Linear Model Prediction) : Readily Degradable
Biowin6 (MITI Non-Linear Model Prediction): Readily Degradable
Biowin7 (Anaerobic Model Prediction): Does Not Biodegrade Fast
Ready Biodegradability Prediction: YES
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin1 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.1084 | 0.2169
Frag | 2 | Ester [-C(=O)-O-C] | 0.1742 | 0.3484
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.1839 | -0.1839
MolWt| * | Molecular Weight Parameter | | -0.1831
Const| * | Equation Constant | | 0.7475
============+============================================+=========+=========
RESULT | Biowin1 (Linear Biodeg Probability) | | 0.9457
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 1.8437 | 3.6874
Frag | 2 | Ester [-C(=O)-O-C] | 4.0795 | 8.1590
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -1.7232 | -1.7232
MolWt| * | Molecular Weight Parameter | | -5.4614
============+============================================+=========+=========
RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9995
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin3 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.5967
Frag | 2 | Ester [-C(=O)-O-C] | 0.1402 | 0.2804
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.2121 | -0.2121
MolWt| * | Molecular Weight Parameter | | -0.8499
Const| * | Equation Constant | | 3.1992
============+============================================+=========+=========
RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 3.0142
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.2691 | 0.5381
Frag | 2 | Ester [-C(=O)-O-C] | 0.2290 | 0.4579
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.1534 | -0.1534
MolWt| * | Molecular Weight Parameter | | -0.5549
Const| * | Equation Constant | | 3.8477
============+============================================+=========+=========
RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 4.1355
============+============================================+=========+=========
Result Classification: 5.00 -> hours 4.00 -> days 3.00 -> weeks
(Primary & Ultimate) 2.00 -> months 1.00 -> longer
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin5 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Ester [-C(=O)-O-C] | 0.3437 | 0.6875
Frag | 1 | Carbon with 4 single bonds & no hydrogens | 0.0676 | 0.0676
Frag | 4 | Methyl [-CH3] | 0.0004 | 0.0016
Frag | 16 | -CH2- [linear] | 0.0494 | 0.7907
MolWt| * | Molecular Weight Parameter | | -1.1442
Const| * | Equation Constant | | 0.7121
============+============================================+=========+=========
RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 1.1153
============+============================================+=========+=========
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Ester [-C(=O)-O-C] | 2.4462 | 4.8923
Frag | 1 | Carbon with 4 single bonds & no hydrogens | 0.3990 | 0.3990
Frag | 4 | Methyl [-CH3] | 0.0194 | 0.0777
Frag | 16 | -CH2- [linear] | 0.4295 | 6.8719
MolWt| * | Molecular Weight Parameter | |-11.1031
============+============================================+=========+=========
RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.9750
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Readily Degradable
A Probability Less Than 0.5 indicates --> NOT Readily Degradable
------+-----+--------------------------------------------+---------+---------
TYPE | NUM | Biowin7 FRAGMENT DESCRIPTION | COEFF | VALUE
------+-----+--------------------------------------------+---------+---------
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | -0.3177 | -0.6355
Frag | 2 | Ester [-C(=O)-O-C] | 0.1719 | 0.3437
Frag | 1 | Carbon with 4 single bonds & no hydrogens | -0.3342 | -0.3342
Frag | 4 | Methyl [-CH3] | -0.0796 | -0.3183
Frag | 16 | -CH2- [linear] | 0.0260 | 0.4158
Const| * | Equation Constant | | 0.8361
============+============================================+=========+=========
RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.3077
============+============================================+=========+=========
A Probability Greater Than or Equal to 0.5 indicates --> Biodegrades Fast
A Probability Less Than 0.5 indicates --> Does NOT Biodegrade Fast
Ready Biodegradability Prediction: (YES or NO)
----------------------------------------------
Criteria for the YES or NO prediction: If the Biowin3 (ultimate survey model) result is "weeks" or faster (i.e. "days", "days to weeks", or "weeks" AND the Biowin5 (MITI linear model) probability is >= 0.5, then the prediction is YES (readily biodegradable). If this condition is not satisfied, the prediction is NO (not readily biodegradable). This method is based on application of Bayesian analysis to ready biodegradation data (see Help). Biowin5 and 6 also predict ready biodegradability, but for degradation in the OECD301C test only; using data from the Chemicals Evaluation and Research Institute Japan (CERIJ) database.
CO2cumulative production (mg)
Time (days) |
T3/17 |
T3/18 |
T3/21 |
T3/22 |
T3/23 |
T3/24 |
|
Blank |
Blank |
Neopentyl Glycol Dipelargonate Sample 1 |
Neopentyl Glycol Dipelargonate Sample 2 |
CH3COONa |
CH3COONa |
0 |
0 |
0 |
0 |
0 |
0 |
0 |
3 |
10,56 |
10,56 |
22,44 |
43,56 |
68,64 |
56,76 |
6 |
23,50 |
25,08 |
84,48 |
118,80 |
118,80 |
109,56 |
10 |
43,30 |
43,56 |
170,28 |
205,92 |
157,08 |
154,44 |
14 |
56,50 |
56,76 |
217,80 |
269,28 |
184,80 |
184,80 |
17 |
73,66 |
72,60 |
242,88 |
306,24 |
205,92 |
211,20 |
21 |
86,86 |
85,80 |
260,04 |
330,00 |
224,40 |
233,64 |
28 |
104,02 |
102,96 |
278,52 |
353,76 |
248,16 |
258,72 |
Biodegradation values
Time (days) |
%Biod. Neopentyl Glycol Dipelargonate Sample 1 |
%Biod. Neopentyl Glycol Dipelargonate Sample 2 |
%Biod. CH3COONa |
%Biod. CH3COONa |
0 |
0 |
0 |
0 |
0 |
3 |
5,44 |
11,34 |
30,19 |
23,87 |
6 |
27,54 |
32,49 |
49,13 |
44,06 |
10 |
58,04 |
55,86 |
59,08 |
57,37 |
14 |
73,74 |
73,11 |
66,62 |
66,23 |
17 |
77,67 |
80,14 |
69,03 |
71,35 |
21 |
79,48 |
83,77 |
71,77 |
76,12 |
28 |
80,08 |
86,04 |
75,20 |
80,22 |
Biodegradation average values after 28 days of test
Test Item |
Biodegradation (%) |
Biodegradation (%) Relative to Sodium Acetate (positive control) |
Neopentyl Glycol Dipelargonate |
83,06 (±4,21) |
106,53 |
Sodium Acetate |
77,71 (±3,55) |
100,00 |
Description of key information
The substance can be regarded as readily biodegradable based on the outcome of the OECD301B study by Tosin (2017).
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
Additional information
The biodegradation was assessed in one experimental key study (Tosin, 2017). This is a well documented study that was carried out according to the OECD guideline 301B. At the end of the test (after 28 days) the biodegradation of the test substance was 83 %. The QSAR supporting study suggests that the substance is readily biodegradable. Thus on the basis of the obtained result, it can be declared as “Readily Biodegradable”.
[Type of water: freshwater]
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