Amides, vegetable-oil, N,N-bis(hydroxyethyl)

Endpoint summary

Additional information

The intermediate called PRODUCT L6143 is mainly composed of Amides, vegetable oil, N, N-bis(hydroxyethyl) at ca 86%. This component cannot be well defined on chain lenghts, number of insaturations and types of fatty acids. In fact, the term "vegetable oil" is used to describe this main component. To understand the environmental behaviour of the intermediate PRODUCT L6143, this major component can be taken in to account, but no data are available, with the exemption of similar substances with a defined number of carbons and insaturations:

Amides, C8-18 (even numbered) and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68155-07-7

Amides, C12-18 (even-numbered) and C18 (unsatd.), N,N-bis(hydroxyethyl), CAS 90622-74-5

Amides, C16-18 and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68603-38-3

Amides, soya, N,N-bis(hydroxyethyl),CAS 68603-38-3

Phototransformation in air

Data on phototransformation in air are estimated by AOP Win v1.92, using default values of hydroxyl radical concentration and hydroxyl rate constant; the accuracy of this method is well described by predicting available experimental values; due to lack of complete training set, no precise applicability domain for this methodology is possible.

The first similar substance, Amides, C8-18 (even numbered) and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68155-07-7, SMILES CCCCCCCC(=O)N(CCO)CCO has an

OVERALL OH Rate Constant = 43.6393 E-12 cm3/molecule-sec and and

HALF-LIFE of 0.245 Days (12-hr day; 1.5E6 OH/cm3).^{1 2}

The second, Amides, C12-18 (even-numbered) and C18 (unsatd.), N,N-bis(hydroxyethyl), CAS 90622-74-5, SMILES CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO present two isomers:

OVERALL OH Rate Constant = 110.8153 E-12 cm3/molecule-sec (Cis-isomer)

OVERALL OH Rate Constant = 118.4153 E-12 cm3/molecule-sec (Trans-isomer)

Half-Life =   1.158 Hrs (12-hr day; 1.5E6 OH/cm3) (Cis-isomer)

Half-Life =   1.084 Hrs (12-hr day; 1.5E6 OH/cm3) (Trans-isomer).

The calculation program AOP Win v1.92 indicates that reaction with nitrate radicals may be important.^{1 3}

 

The Amides, C16-18 and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68603-38-3, SMILES CCCCCCC=CCCCCCCC=CCCN(CCO)CCO has an

OVERALL OH Rate Constant = 234.9765 E-12cm3/molecule-sec and and anHalf-Life of 0.546 hours.^{1 4}

References:

¹AOP Win v1.92 (EPI Suite v.4.00 by EPA);

²ECHA Registration Dossier, Amides, C8-18 (even numbered) and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68155-07-7;

³ECHA Registration Dossier, Amides, C12-18 (even-numbered) and C18 (unsatd.), N,N-bis(hydroxyethyl), CAS 90622-74-5;

⁴ECHA Registration Dossier, Amides, C16-18 and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68603-38-3.

Hydrolysis

No data, estimation data nor calculation data on hydrolysys on similar substances of the main component are available.

It is no possible to conclude if the PRODUCTL6143 can be hydrolysed at environmental conditions.

Biodegradability

In an experimental ready biodegradability CO2 Evolution Test (OECD Guideline 301 B) Amides, C8-18 (even numbered) and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68155-07-7 is resulted readily biodegradable after 28 days, and the same result on biodegradability was found in a manometric respirometry test (EU Method C.4-D), except that in this case it failed the 10-day window, condition not applicable to UVCB substance.

¹

In fact, the 10 day window does not apply to OECD 301 C or if the test substance represents a mixture of homologous compounds e.g. technical surfactants (Rif. ECHA Guidance R.7b).

In an ready biodegradability Closed Bottle Test (OECD Guideline 301 D), amides, C12-18 (even-numbered) and C18 (unsatd), N,N-bis(hydroxyethyl) is considered to be readily biodegradable under the test condictions (84 % at 2 mg/L and 71 % at 5 mg/L).²

Amides, C16-18 and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68603-38-3 is considered ready biodegradable, after 28 days, under the test condition of an OECD 301D (closed bottle) test. This amide was also exposed to the activated domestic sewage sludge according to the OECD 301B.

The test substance attained 62% degradation after 28 days but did not meet the 10-d window validation criterion.

As indicated before, the 10 day window does not apply if the test substance represents a mixture of homologous compounds e.g. technical surfactant.

The prediction usingBIOWIN v 4.10 indicates a readily biodegradability for all these substances.⁴

Amides, soya, N,N-bis(hydroxyethyl),CAS 68603-38-3 was also tested according to the Coupled Units test, as described in Directive 87/302/EEC. It was considered to be ultimately biodegradable.

A conclusion, biodegradability of PRODUCTL6143 can be drawn based on the main component similar substances, and therefore the intermediate is considered to be ready biodegradable.

References:

¹ECHA Registration Dossier, Amides, C8-18 (even numbered) and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68155-07-7;

²ECHA Registration Dossier, Amides, Amides, C12-18 (even-numbered) and C18 (unsatd.), N,N-bis(hydroxyethyl), CAS 90622-74-5;

³BIOWIN v4.10(EPI Suite v.4.00 by EPA)

⁴ECHA Registration Dossier, Amides, C16-18 and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68603-38-3.

Bioaccumulation

The bioaccumulation factors (BCF) of Amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl) was estimated by BCFBAF v3.01. Estimated log Kow was used for the calculation. The BCF was found to be 3.16 L/kg wet-wt.^{1 2}

The bioaccumulation potential of amides, C12-18 (even-numbered) and C18(unsatd.), N,N-bis(hydroxyethyl), was estimated to be 99.66 L/kgwet weight according to the BCFBAF v3.01 model of EPIWIN v.4.0, using an estimated log Kow.^{1 3}

The bioaccumulation potential of amides, C16-18 (even-numbered) and C18-unsatd., N,N-bis(hydroxyethyl) was estimated to be 81 L/kg wet weight (log BCF = 1.9) according to the BCFBAF v3.01 model of EPIWEB v 4.1.^{1 4}

As a conclusion, the PRODUCT L6143 is considered to be not bioaccumulative.

 

References:

¹BCFBAF v3.01 (EPI Suite v.4.00 by EPA);

²ECHA Registration Dossier, Amides, C8-18 (even numbered) and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68155-07-7;

³ECHA Registration Dossier, Amides, Amides, C12-18(even-numbered) and C18(unsatd.), N,N-bis(hydroxyethyl), CAS 90622-74-5;

⁴ECHA Registration Dossier, Amides, C16-18 and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68603-38-3.

Adsorption /Desorption

The estimated weighted mean Koc for amides, C8-18 and C18-unsatd., N,N-bis(hydroxyethyl) using MCI approach of KOCWIN v2.00 program (EPIWEB v 4.0) was found:

Koc 10 L/kg (MCI method)

Koc 3.66 L/kg (Kow method).^{1 2}

The estimated Koc for amides, C12-18 (even-numbered) and C18 (unsatd.),N,N-bis (hydroxyethyl), was found to be

Koc 1448 L/kg (MCI method)

Koc 1457 L/kg (Kow method).^{1 3}

The estimated Koc for amides, C16-18 (even-numbered) and C18 (unsatd.),N,N-bis (hydroxyethyl), was found to be

Koc 5778 L/kg (MCI method)

Koc 3872 L/kg (Kow method).^{1 4}

According to Level III Fugacity Model the mass amount in soil is more than 70% for all these amides (C8-18 and C12-18).⁵

As a conclusion, the PRODUCT L6143 is expected to partition primarily to soil.

References:

¹KOCWIN v2.00 (EPI Suite v.4.00 by EPA);

²ECHA Registration Dossier, Amides, C8-18 (even numbered) and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68155-07-7;

³ECHA Registration Dossier, Amides, C12-18 (even-numbered) and C18 (unsatd.), N,N-bis(hydroxyethyl), CAS 90622-74-5;

⁴ECHA Registration Dossier, Amides, C16-18 and C18-unsatd., N,N-bis(hydroxyethyl), CAS 68603-38-3.

⁵Level III Fugacity Model(EPI Suite v.4.00 by EPA).