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Diss Factsheets

Environmental fate & pathways

Additional information on environmental fate and behaviour

Administrative data

Endpoint:
additional information on environmental fate and behaviour
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
August 2020
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
study well documented, meets generally accepted scientific principles, acceptable for assessment
Justification for type of information:
Identification of degradation products sourced from Japanese biodegradation tests. The degradants have been assessed for PBT and vPvB via appropriate QSAR techniques.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2020
Report date:
2020

Materials and methods

Test guideline
Qualifier:
no guideline required
GLP compliance:
not specified
Type of study / information:
LC/MS analysis using reversed phase column was performed to confirm whether any transformation products were detected in the organic and DOC phase of the Day 28 [Sludge + test substance] incubates.

Test material

Constituent 1
Chemical structure
Reference substance name:
Oligomerisation products of alpha-alkenes C16-18 (even numbered), hydrogenated, hydroisomerised
EC Number:
832-827-5
Cas Number:
2241366-04-9
Molecular formula:
Variable - UVCB
IUPAC Name:
Oligomerisation products of alpha-alkenes C16-18 (even numbered), hydrogenated, hydroisomerised
Test material form:
liquid
Details on test material:
Name: SynNova Base Oil
CAS number: 2241366-04-9
Batch/Lot number: TS20371/TS21270
Description: Liquid - water white colorless oil.
Purity: 100%
Expiry date: 25 February 2021/31 July 2021
Storage conditions: Controlled room temperature (15-25°C, ≤70% relative humidity)
Safety precautions: Routine safety precautions (gloves, goggles, face mask, lab coat) for unknown materials were applied to ensure personnel health and safety.
Specific details on test material used for the study:
No further details specified in the study report.

Results and discussion

Any other information on results incl. tables

Assumed transformation products

Positive mode

No.

Retention time (min)

Detected ion (m/z)

Adduct ion

Typical example of structural formula straight chains (s) or branched alkyl (b)

Molecular weight

 

①

2.3-2.6

155.1

[M+K]+

CH3(CH2)4COOH

(s)

116.16

 

183.2

[M+K]+

CH3(CH2)6COOH

(s)

144.21

 

211.2

[M+K]+

CH3(CH2)8COOH

(s)

172.26

 

228.2

-

Unknown

-

-

 

③

3.3-3.8

339.5

[M+K]+

(CH3)4(CH2)7(CH)4(COOH)2

(b)*1

300.43

 

589.8

[M+K]+

(CH3)7(CH2)23(CH)6COOH

(b)*2

550.96

 

603.8

[M+K]+

(CH3)7(CH2)24(CH)6COOH

(b)*2

564.99

 

601.8

[M+Na]+

(CH3)7(CH2)25(CH)6COOH

(b)*2

579.01

 

617.8

[M+K]+

 

615.8

[M+Na]+

(CH3)7(CH2)26(CH)6COOH

(b)*2

593.04

 

631.8

[M+K]+

 

618.8

-

Unknown

-

-

 

629.8

[M+Na]+

(CH3)7(CH2)27(CH)6COOH

(b)*2

607.07

 

645.9

[M+K]+

 

643.8

[M+Na]+

(CH3)7(CH2)28(CH)6COOH

(b)*2

621.09

†

659.9

[M+K]+

646.9

-

Unknown

-

-

 

673.9

[M+K]+

(CH3)7(CH2)29(CH)6COOH

(b)*2

635.12

 

671.9

[M+Na]+

(CH3)7(CH2)30(CH)6COOH

(b)*2

649.14

†

688.0

[M+K]+

675.0

-

Unknown

-

-

 

699.9

-

Unknown

-

-

 

702.0

[M+K]+

(CH3)7(CH2)31(CH)6COOH

(b)*2

663.17

 

703.0

-

Unknown

-

-

 

759.0

-

Unknown

-

-

 

774.0

-

Unknown

-

-

 

④

3.8-4.1

716.0

[M+K]+

(CH3)7(CH2)32(CH)6COOH

(b)*2

677.20

 

730.0

[M+K]+

(CH3)7(CH2)33(CH)6COOH

(b)*2

691.22

 

744.1

[M+K]+

(CH3)7(CH2)34(CH)6COOH

(b)*2

705.25

†

745.1

-

Unknown

-

-

 

758.1

[M+K]+

(CH3)7(CH2)35(CH)6COOH

(b)*2

719.27

 

759.1

-

Unknown

-

-

 

772.1

[M+K]+

(CH3)7(CH2)36(CH)6COOH

(b)*2

733.30

 

786.1

[M+K]+

(CH3)7(CH2)37(CH)6COOH

(b)*2

747.33

 

787.1

-

Unknown

-

-

 

800.1

[M+K]+

(CH3)7(CH2)38(CH)6COOH

(b)*2

761.35

 

801.1

-

Unknown

-

-

 

8.14.1

[M+K]+

(CH3)7(CH2)39(CH)6COOH

(b)*2

775.38

 

⑤

4.1-4.5

523.8

-

Unknown

-

-

 

*1 Other than (CH3)4(CH2)7(CH)4(COOH)2, there is a possibility of (CH3)3(CH2)9(CH)3(COOH)2, (CH3)2(CH2)11(CH)2(COOH)2, etc.

*2 Other than (CH3)7(CH2)n(CH)6COOH, there is a possibility of (CH3)6(CH2)n(CH)5COOH, (CH3)5(CH2)n(CH)4COOH, etc.

†The transformation product detected even in the negative.

 

Assumed transformation products

Negative mode

No.

Retention time (min)

Detected ion (m/z)

Adduct ion

Typical example of structural formula straight chains (s) or branched alkyl (b)

Molecular weight

 

⑥

3.0-3.9

3.68.6

-

Unknown

-

-

 

339.5

[M+H]-

(CH3)7(CH2)8(CH)6COOH

(b)*2

340.57

 

353.5

[M+H]-

(CH3)7(CH2)9(CH)6COOH

(b)*2

354.60

 

367.6

[M+H]-

(CH3)7(CH2)10(CH)6COOH

(b)*2

368.62

 

381.6

[M+H]-

(CH3)7(CH2)11(CH)6COOH

(b)*2

382.65

 

383.5

[M+H]-

(CH3)6(CH2)9(CH)6(COOH)2

(b)*3

384.58

 

395.6

[M+H]-

(CH3)7(CH2)12(CH)6COOH

(b)*2

396.68

 

397.6

[M+H]-

(CH3)6(CH2)10(CH)6(COOH)2

(b)*3

398.61

 

409.6

[M+H]-

(CH3)7(CH2)13(CH)6COOH

(b)*2

410.70

 

411.6

[M+H]-

(CH3)6(CH2)11(CH)6(COOH)2

(b)*3

412.63

 

412.6

-

Unknown

-

-

 

423.6

[M+H]-

(CH3)7(CH2)14(CH)6COOH

(b)*2

424.73

 

424.6

-

Unknown

-

-

 

425.6

[M+H]-

(CH3)6(CH2)11(CH)6(COOH)2

(b)*3

426.66

 

437.7

[M+H]-

(CH3)7(CH2)15(CH)6COOH

(b)*2

438.75

 

439.6

[M+H]-

(CH3)6(CH2)13(CH)6(COOH)2

(b)*3

440.69

 

440.6

-

Unknown

-

-

 

451.7

[M+H]-

(CH3)7(CH2)16(CH)6COOH

(b)*2

452.78

 

453.6

[M+H]-

(CH3)6(CH2)14(CH)6(COOH)2

(b)*3

454.71

 

467.7

[M+H]-

(CH3)6(CH2)15(CH)6(COOH)2

(b)*3

468.74

 

479.7

[M+H]-

(CH3)7(CH2)18(CH)6COOH

(b)*2

480.83

 

480.7

-

Unknown

-

-

 

481.7

[M+H]-

(CH3)6(CH2)16(CH)6(COOH)2

(b)*3

482.76

 

495.7

[M+H]-

(CH3)6(CH2)17(CH)6(COOH)2

(b)*3

496.79

 

496.8

-

Unknown

-

-

 

509.7

[M+H]-

(CH3)6(CH2)18(CH)6(COOH)2

(b)*3

510.82

 

510.7

-

Unknown

-

-

 

537.8

[M+H]-

(CH3)6(CH2)20(CH)6(COOH)2

(b)*3

538.87

 

538.8

-

Unknown

-

-

 

565.8

[M+H]-

(CH3)6(CH2)22(CH)6(COOH)2

(b)*3

566.92

 

566.8

-

Unknown

-

-

 

593.8

[M+H]-

(CH3)6(CH2)24(CH)6(COOH)2

(b)*3

594.97

 

594.8

-

Unknown

-

-

 

619.8

[M+H]-

(CH3)7(CH2)28(CH)6COOH

(b)*2

621.09

†

621.9

[M+H]-

(CH3)6(CH2)26(CH)6(COOH)2

(b)*3

623.02

 

622.8

-

Unknown

-

-

 

649.9

[M+H]-

(CH3)6(CH2)28(CH)6(COOH)2

(b)*3

651.08

 

650.9

-

Unknown

-

-

 

677.9

[M+H]-

(CH3)6(CH2)30(CH)6(COOH)2

(b)*3

679.13

 

⑦

3.9-4.5

648.9

[M+H]-

(CH3)7(CH2)30(CH)6COOH

(b)*2

649.17

†

704.1

[M+H]-

(CH3)7(CH2)34(CH)6COOH

(b)*2

705.25

†

705.1

-

Unknown

-

-

 

*2Other than (CH3)7(CH2)n(CH)6COOH, there is a possibility of (CH3)6(CH2)n(CH)5COOH, (CH3)5(CH2)n(CH)4COOH, etc.

*3 Other than (CH3)6(CH2)n(CH)6(COOH)2, there is a possibility of (CH3)5(CH2)n(CH)5(COOH)2, (CH3)4(CH2)n(CH)4(COOH)2, etc.

†The transformation product detected even in the positive.

Applicant's summary and conclusion

Conclusions:
The detected transformation products were those in which the end of the structure of the test substance was a carboxyl group. Assessment of the likely degradants using appropriate QSAR indicated that the degradants are not of concern for PBT and vPvB properties.
Executive summary:

LC/MS analysis using reversed phase column was performed to confirm whether any transformation products were detected in the organic and DOC phase of the Day 28 [Sludge + test substance] incubates.

 

In the [Sludge + test substance]-1, 2 in the organic phase, new peaks derived from transformation products were detected at retention time of approximately 2.3-4.5 min at positive mode and approximately 3.0-4.5 min at negative mode. The detected transformation products were those in which the end of the structure of the test substance was a carboxyl group.

The detected transformation products were those in which the end of the structure of the test substance was a carboxyl group.  Assessment of the likely degradants using appropriate QSAR indicated that the degradants are not of concern for PBT and vPvB properties.