Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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.

REACH

Reaction mass of bis(2-ethylhexyl) adipate and cyclohexyl 2-ethylhexyl adipate and dicyclohexyl adipate

EC number: 948-946-1 | CAS number: -

Life Cycle description
Uses advised against

Environmental fate & pathways

Biodegradation in water: screening tests

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference 1

Endpoint:: biodegradation in water: ready biodegradability
Type of information:: experimental study
Adequacy of study:: key study
Reliability:: 1 (reliable without restriction)
Rationale for reliability incl. deficiencies:: guideline study
Qualifier:: according to guideline
Guideline:: OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)
Deviations:: no
Principles of method if other than guideline:: 20
GLP compliance:: yes (incl. QA statement)
Specific details on test material used for the study:: SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: #30869
- Expiration date of the lot/batch: 26 Nov 2019
- Purity: 99.8 area-% (UVCB)
Oxygen conditions:: aerobic
Inoculum or test system:: activated sludge, domestic, non-adapted
Details on inoculum:: - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): Inoculum (activated sludge) was collected on 23rd July 2018 from the aeration tank of the wastewater treatment plant of Mannheim, Germany
- Method of cultivation: A suitable aliquot of the activated sludge suspension was sieved by a finely woven mesh with a mesh size of about 1 mm. Subsequently, this sludge suspension was aerated for about 2 days at 22 ±2° C with carbon dioxide free air.
- Preparation of inoculum for exposure: At the day of exposure, the aeration was stopped, and the sludge suspension was washed once using drinking water and was allowed to settle. After settling, the supernatant was discarded. The remaining sludge suspension was filled up once more with drinking water and the final concentration of the sludge was adjusted to 6.0 g/L dry weight. Aliquots of 7.5 mL of this suspension were added to the 2 L test vessels containing 1.5 L test medium to obtain a final activated sludge concentration of 30 mg/L dry weight.
Duration of test (contact time):: 28 d
Initial conc.:: 20 mg/L
Based on:: TOC
Parameter followed for biodegradation estimation:: CO2 evolution
Details on study design:: TEST CONDITIONS
- Composition of medium: according to guideline
- Test temperature: 22 °C
- pH: 7.4 +- 2
- Aeration of dilution water: Aeration was started on the 0th day of exposure using carbon dioxide free air at a flow of approximately 800 mL per hour by connecting the test bottles with an aeration unit.
- Suspended solids concentration: 30 mg/L dw
- Continuous darkness: yes
- Other: The incubation bottles were stirred during the experimental duration on a magnetic stirrer.

TEST SYSTEM
- Culturing apparatus: 2L incubation bottles
- Number of culture flasks/concentration: 2
- Method used to create aerobic conditions: Aeration was started on the 0th day of exposure using carbon dioxide free air at a flow of approximately 800 mL per hour by connecting the test bottles with an aeration unit.
- Measuring equipment: TOC analyzer
- Details of trap for CO2 and volatile organics if used: The bottles were connected to two serial scrubbing bottles filled with 100 mL of 0.05 mol sodium hydroxide (NaOH) solution which act as the trap to capture the carbon dioxide evolved from the mineralization processes.

SAMPLING
Samples for DIC-measurement (validity criterion) from the blank control assays were taken on the 0th day. Initial dissolved organic carbon (DOC) content on the 0th day as well as the decline in DOC during the exposure period was determined from the blank control as well as from the reference substance (control) after centrifuging the samples for approximately 15 minutes at 4000 rpm. Since the test substance was sufficiently soluble in water after ultrasonication, DOC measurements could be also performed from the inhibition control and test substance assays.
At the end of exposure (28th day), after routine TIC sampling from the NaOH trap near to the test bottle, pH was measured from each of the test assays. After this, each test vessel was acidified with 2 mL of concentrated hydrochloric acid in order to strip out the remaining dissolved CO2 in the test medium. The aeration was continued for another 24 hours and the released CO2 from the test medium during this period was captured into both traps of each test vessels. The TIC content from both NaOH traps was measured after 24 hours and was taken into account for the calculation of degree of biodegradation of 28th day.

CONTROL AND BLANK SYSTEM
- Inoculum blank: yes
- Toxicity control: yes
Reference substance:: aniline
: Key result
Parameter:: % degradation (CO2 evolution)
Value:: 79
St. dev.:: 6
Sampling time:: 28 d
Results with reference substance:: 80% biodegradation in 28 days
Validity criteria fulfilled:: yes
Interpretation of results:: readily biodegradable
Conclusions:: The test substance is readily biodegradable according to OECD criteria.

Reference 2

Endpoint:: biodegradation in water: ready biodegradability
Type of information:: experimental study
Adequacy of study:: supporting study
Reliability:: 1 (reliable without restriction)
Rationale for reliability incl. deficiencies:: guideline study
Justification for type of information:: The study was performed with one of the main components of the multiconstituent.
Qualifier:: according to guideline
Guideline:: EU Method C.4-D (Determination of the "Ready" Biodegradability - Manometric Respirometry Test)
Version / remarks:: adopted in 1984
Deviations:: no
Qualifier:: equivalent or similar to guideline
Guideline:: OECD Guideline 301 F (Ready Biodegradability: Manometric Respirometry Test)
Deviations:: no
GLP compliance:: yes
Oxygen conditions:: aerobic
Inoculum or test system:: activated sludge, domestic, non-adapted
Details on inoculum:: - Source of inoculum/activated sludge: obtained from municipal laboratory wastewater treatment plant (16 Mar 1987)
- Concentration of sludge: 30 mg/L (in test)
Duration of test (contact time):: 28 d
Initial conc.:: 52 - 200 mg/L
Based on:: test mat.
Parameter followed for biodegradation estimation:: O2 consumption
Details on study design:: TEST CONDITIONS
- Number of culture flasks/concentration: 100 mg/L: 3 replicats; 52/200 mg/L: two replicats
- pH: 6.8 - 7.8

CONTROL AND BLANK SYSTEM
- Toxicity control: yes
Reference substance:: aniline
Remarks:: 100 mg/L
: Key result
Parameter:: % degradation (O2 consumption)
Value:: 90 - 100
Sampling time:: 28 d
Details on results:: - lag phase 3 day
- > Manometric Respirometry test60% degradation after 10 days
- biodegradation degree after 28 days: >90%
The test substance is readily biodegradable.
Parameter:: COD
Value:: 1 687 mg O2/g test mat.
Parameter:: BOD5
Value:: 277 mg O2/g test mat.
Results with reference substance:: 100% DOC elimination in 10 days
Validity criteria fulfilled:: yes
Interpretation of results:: readily biodegradable
Conclusions:: The test substance reached a biodegradation of 90 - 100% in 28 days. The 10-day-window was passed. Therefore, the test substance is readily biodegradable according to OECD criteria.
Executive summary:: The ready biodegradability of Bis(2-ethylhexyl) adipate was tested according to EU method C.4-D (manometric respirometry test equivalent to OECD 301F) under GLP conditions. Non-adapted municipal activated sludge was used as inoculum. The test substance was tested at concentrations between of 52 and 200 mg/L. The validity criteria are fulfilled. The pass level of 60% biodegradation was reached in less than 10 days. After 28 days a biodegradation of 90 – 100 % was observed. Therefore, the test substance is readily biodegradable according to OECD criteria.

Reference 3

Endpoint:

biodegradation in water: ready biodegradability

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:

QMRF and QPRF are given under overall remarks and executive summary, respectively.

Principles of method if other than guideline:

Prediction of ready biodegradability based on EPI Suite v4.11 BIOWIN v4.10.

GLP compliance:

Key result

Remarks on result:

other: Ready biodegradability prediction: Substance is readily biodegradable.

Key result

Remarks on result:

other: Biowin1: Biodegrades fast; Biowin2: Biodegrades fast; Biowin3: Weeks; Biowin4: Days; Biowin5: Biodegrades fast; BIOWIN6: Biodegrades fast

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) : 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 | 0.1084

Frag | 2 | Ester [-C(=O)-O-C] | 0.1742 | 0.3484

MolWt| * | Molecular Weight Parameter | | -0.1621

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

RESULT | Biowin1 (Linear Biodeg Probability) | | 1.0422

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 1.8437 | 1.8437

Frag | 2 | Ester [-C(=O)-O-C] | 4.0795 | 8.1590

MolWt| * | Molecular Weight Parameter | | -4.8352

============+============================================+=========+=========

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9997

============+============================================+=========+=========

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 | 1 | Linear C4 terminal chain [CCC-CH3] | 0.2983 | 0.2983

Frag | 2 | Ester [-C(=O)-O-C] | 0.1402 | 0.2804

MolWt| * | Molecular Weight Parameter | | -0.7525

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 3.0255

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 1 | Linear C4 terminal chain [CCC-CH3] | 0.2691 | 0.2691

Frag | 2 | Ester [-C(=O)-O-C] | 0.2290 | 0.4579

MolWt| * | Molecular Weight Parameter | | -0.4913

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 4.0835

============+============================================+=========+=========

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 | 2 | Methyl [-CH3] | 0.0004 | 0.0008

Frag | 9 | -CH2- [linear] | 0.0494 | 0.4447

Frag | 1 | -CH- [linear] | -0.0507 | -0.0507

Frag | 5 | -CH2- [cyclic] | 0.0197 | 0.0986

Frag | 1 | -CH - [cyclic] | 0.0124 | 0.0124

MolWt| * | Molecular Weight Parameter | | -1.0130

Const| * | Equation Constant | | 0.7121

============+============================================+=========+=========

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.8926

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ester [-C(=O)-O-C] | 2.4462 | 4.8923

Frag | 2 | Methyl [-CH3] | 0.0194 | 0.0389

Frag | 9 | -CH2- [linear] | 0.4295 | 3.8654

Frag | 1 | -CH- [linear] | -0.0998 | -0.0998

Frag | 5 | -CH2- [cyclic] | 0.2365 | 1.1826

Frag | 1 | -CH - [cyclic] | -0.1295 | -0.1295

MolWt| * | Molecular Weight Parameter | | -9.8300

============+============================================+=========+=========

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.9202

============+============================================+=========+=========

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 | 1 | Linear C4 terminal chain [CCC-CH3] | -0.3177 | -0.3177

Frag | 2 | Ester [-C(=O)-O-C] | 0.1719 | 0.3437

Frag | 2 | Methyl [-CH3] | -0.0796 | -0.1591

Frag | 9 | -CH2- [linear] | 0.0260 | 0.2339

Frag | 1 | -CH- [linear] | -0.1659 | -0.1659

Frag | 5 | -CH2- [cyclic] | -0.1200 | -0.6001

Frag | 1 | -CH - [cyclic] | 0.0395 | 0.0395

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.2104

============+============================================+=========+=========

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.

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.

Assessment of estimation domain (molecular weight, fragments):

Model:	BIOWIN v4.10
Substance:	Hexanedioic acid, 1-cyclohexyl 6-(2-ethylhexyl) ester
CAS-#:	77357-98-3
SMILES:	O=C(OC(CCCC1)C1)CCCCC(=O)OCC(CC)CCCC
Molecular weight (g/mol):	340,51

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 substance
	Linear	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
Ester [-C(=O)-O-C]	0,17418	4,0795	-	3	23	2
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 substance
	Ultimate	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
Ester [-C(=O)-O-C]	0,14021	0,22896	-	4	25	2
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 substance
	Linear	Non-Linear	Min	Max	No. of compounds in training set containing the fragment	.
Ester [-C(=O)-O-C]	0,343735	2,44616254	-	3	46	2
Methyl [-CH3]	0,000411	0,01942827	-	9	295	2
-CH2- [linear]	0,049416	0,42949426	-	51	214	9
-CH- [linear]	-0,050672	-0,09977022	-	4	63	1
-CH2- [cyclic]	0,019727	0,2365247	-	12	62	5
-CH - [cyclic]	0,012444	-0,12945411	-	6	47	1
Molecular Weight	---	---	30,02	959,2	-	in range
						.
Fragment description	Coefficient		Min	Max	No. of compounds in training set containing the fragment	No. of instances of each bond found for the current substance
Linear C4 terminal chain [CCC-CH3]	-0,317727891	---	-	3	41	1
Ester [-C(=O)-O-C]	0,171852097	---	-	3	13	2
Methyl [-CH3]	-0,079572183	---	-	4	86	2
-CH2- [linear]	0,025989832	---	-	44	67	9
-CH- [linear]	-0,165850299	---	-	2	17	1
-CH2- [cyclic]	-0,120013553	---	-	4	2	5
-CH - [cyclic]	0,039450559	---	-	6	3	1
Molecular Weight	---	---	46,07	885,46		in range

Reference 4

Endpoint:

biodegradation in water: ready biodegradability

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, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

QMRF and QPRF are given under overall remarks and executive summary, respectively.

Principles of method if other than guideline:

Prediction of ready biodegradability based on EPI Suite v4.11 BIOWIN v4.10.

GLP compliance:

Key result

Remarks on result:

other: Ready biodegradability prediction: Substance is readily biodegradable.

Key result

Remarks on result:

other: Biowin1: Biodegrades fast; Biowin2: Biodegrades fast; Biowin3: Weeks; Biowin4: Days; Biowin5: Biodegrades fast; BIOWIN6: Biodegrades fast

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) : 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 | 2 | Ester [-C(=O)-O-C] | 0.1742 | 0.3484

MolWt| * | Molecular Weight Parameter | | -0.1478

Const| * | Equation Constant | | 0.7475

============+============================================+=========+=========

RESULT | Biowin1 (Linear Biodeg Probability) | | 0.9481

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin2 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ester [-C(=O)-O-C] | 4.0795 | 8.1590

MolWt| * | Molecular Weight Parameter | | -4.4082

============+============================================+=========+=========

RESULT | Biowin2 (Non-Linear Biodeg Probability) | | 0.9988

============+============================================+=========+=========

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 | Ester [-C(=O)-O-C] | 0.1402 | 0.2804

MolWt| * | Molecular Weight Parameter | | -0.6860

Const| * | Equation Constant | | 3.1992

============+============================================+=========+=========

RESULT | Biowin3 (Survey Model - Ultimate Biodeg) | | 2.7936

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin4 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ester [-C(=O)-O-C] | 0.2290 | 0.4579

MolWt| * | Molecular Weight Parameter | | -0.4479

Const| * | Equation Constant | | 3.8477

============+============================================+=========+=========

RESULT | Biowin4 (Survey Model - Primary Biodeg) | | 3.8578

============+============================================+=========+=========

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 | 4 | -CH2- [linear] | 0.0494 | 0.1977

Frag | 10 | -CH2- [cyclic] | 0.0197 | 0.1973

Frag | 2 | -CH - [cyclic] | 0.0124 | 0.0249

MolWt| * | Molecular Weight Parameter | | -0.9236

Const| * | Equation Constant | | 0.7121

============+============================================+=========+=========

RESULT | Biowin5 (MITI Linear Biodeg Probability) | | 0.8959

============+============================================+=========+=========

------+-----+--------------------------------------------+---------+---------

TYPE | NUM | Biowin6 FRAGMENT DESCRIPTION | COEFF | VALUE

------+-----+--------------------------------------------+---------+---------

Frag | 2 | Ester [-C(=O)-O-C] | 2.4462 | 4.8923

Frag | 4 | -CH2- [linear] | 0.4295 | 1.7180

Frag | 10 | -CH2- [cyclic] | 0.2365 | 2.3652

Frag | 2 | -CH - [cyclic] | -0.1295 | -0.2589

MolWt| * | Molecular Weight Parameter | | -8.9619

============+============================================+=========+=========

RESULT |Biowin6 (MITI Non-Linear Biodeg Probability)| | 0.9072

============+============================================+=========+=========

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 | Ester [-C(=O)-O-C] | 0.1719 | 0.3437

Frag | 4 | -CH2- [linear] | 0.0260 | 0.1040

Frag | 10 | -CH2- [cyclic] | -0.1200 | -1.2001

Frag | 2 | -CH - [cyclic] | 0.0395 | 0.0789

Const| * | Equation Constant | | 0.8361

============+============================================+=========+=========

RESULT | Biowin7 (Anaerobic Linear Biodeg Prob) | | 0.1625