Benzyl phenylacetate

PBT assessment

Assessed Substance

Assessed substance:

substance itself

Reference

Reference substance name:

Unnamed

IUPAC name:

benzyl phenylacetate

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 203-008-4]

CAS number:

102-16-9

Identifier:

IUPAC name

Identity:

benzyl 2-phenylacetate

Identifier:

other: SMILES notation

Identity:

O=C(OCC1=CC=CC=C1)CC2=CC=CC=C2

Identity:

benzyl phenylacetate

Molecular formula:

C15H14O2

Molecular weight:

226.274

SMILES notation:

c1(CC(OCc2ccccc2)=O)ccccc1

InChl:

1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2

PBT status of the assessed substance:

the substance is not PBT / vPvB

Results of detailed PBT / vPvB assessment

Persistence

Evidence of non-P / non-vP properties

Screening criteria

Criteria based on Annex XIII of REACH

P but not vP based on

T½ ≤ 60 days in marine, fresh- or estuarine water:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water for the test compound Benzyl phenylacetate (CAS No. 102 -16 -9). If released in to the environment, 22.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Benzyl phenylacetate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is moderate to low.

and T½ ≤ 180 days in marine, fresh- or estuarine sediment:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in sediment for the test compound Benzyl phenylacetate (CAS No. 102 -16 -9).The half-life period of Benzyl phenylacetate in sediment is estimated to be 135 days (3240 hrs). Based on this half-life value, it indicates that Benzyl phenylacetate is persistent in sediment.

and T½ ≤ 180 days in soil:

The half-life period of Benzyl phenylacetate (CAS No.102 -16 -9) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 72.4% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of Benzyl phenylacetate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of Benzyl phenylacetate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Conclusion

Conclusion on P / vP properties:

P not vP

Remark:

Although the half-life values suggest classification as very persistent (vP), the substance is classified only as persistent (P) since only estimated half-life values are available for the same. Hence it has been concluded that Benzyl phenylacetate is persistent in nature.

Bioaccumulation

Evidence of non-B / non-vB properties

Screening criteria

Not B and not vB based on: Log Kow ≤ 4.5

Remark:

The experimental octanol-water partition coefficient (Log Kow) is determined to be 3.47 which is less than the threshold of 4.5

Criteria based on Annex XIII of REACH

Not B and not vB based on: BCF ≤ 2,000 L/kg

Remark:

The estimated bioaccumulation factor (BCF) was determined to be in the range 146-254 L/kg wet wt. If this chemical is released into the aquatic environment, there should be a low risk for the chemical to bioaccumulate in fish and food chains.

Conclusion

Conclusion on B / vB properties:

not B/vB

Toxicity

Evidence of non-T properties

Criteria based on Annex XIII of REACH

Not T based on:

EC10 or NOEC ≥ 0.01 mg/L for marine / freshwater organisms (long-term toxicity):

All of the available short-term eco-toxicity studies for invertebrates and algae for the substance indicates the LC50/EC50 value to be in the range 34 - 61 mg/L. These value suggest that the substance is likely to be hazardous to Aquatic organisms at environmentally relevant concentrations and can be considered to be classified in Aquatic chronic category 3 as per the CLP regulation.

There are no available long-term toxicity evaluations for Benzyl phenylacetate. By speculation, long-term NOEC for aquatic organisms cannot be expected for Benzyl phenylacetate at concentration below 0.01 mg/L based on the data mentioned above.

The chemical was therefore considered as non-hazardous to aquatic environments as per the criteria set out in Annex XIII.

and substance is not classified as carcinogenic (category 1 or 2), mutagenic (category 1 or 2), or toxic for reproduction (category 1, 2 or 3) according to Directive 67/548/EEC or carcinogenic (category 1A or 1B), germ cell mutagenic (category 1A or 1B), or toxic for reproduction (category 1A, 1B or 2) according to Regulation EC No 1272/2008:

The substance is not classified as carcinogenic (category 1A or 1B), germ cell mutagenic (category 1A or 1B), or toxic for reproduction (category 1A, 1B or 2) according to CLP (Regulation (EC) No 1272/2008).

and no other evidence of chronic toxicity, as identified by the classifications T, R48 or Xn, R48 according to Directive 67/548/EEC or specific target organ toxicity after repeated exposure (STOT RE category 1 or 2) according to Regulation EC No 1272/2008:

There is no evidence of chronic toxicity, as identified by the classifications STOT (repeated exposure), category 1(oral, dermal, inhalation of gases/vapours, inhalation of dust/mist/fume) or category 2 (oral, dermal, inhalation of gases/vapours, inhalation of dust/mist/fume) according to Regulation (EC) No 1272/2008.

Evidence of T properties

Conclusion

Conclusion on T properties:

not T