Registration Dossier
Registration Dossier
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EC number: 222-774-0 | CAS number: 3608-67-1
PBT assessment
Administrative data
Assessed Substance
- Assessed substance:
- substance itself
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- 1-methylpiperidin-4-yl 2-hydroxy-2,2-diphenylacetate
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 222-774-0]
- CAS number:
- 3608-67-1
- Identifier:
- EC name
- Identity:
- 1-methyl-4-piperidyl diphenylglycolate
- Identifier:
- common name
- Identity:
- 4-NMPB
- Identifier:
- common name
- Identity:
- Enpiperate
- Identity:
- 1-methyl-4-[(2,2-diphenyl-2-hydroxy-acetyl)oxy]-piperidine
- Molecular formula:
- C20H23NO3
- Molecular weight:
- 325.401
- SMILES notation:
- C(=O)(C(O)(c1ccccc1)c1ccccc1)OC1CCN(C)CC1
- InChl:
- InChI=1/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
Reference
- Name:
- 1-methyl-4-piperidyl diphenylglycolate
- Type of composition:
- legal entity composition of the substance
- State / form:
- solid: particulate/powder
- Reference substance:
- 1-methyl-4-piperidyl diphenylglycolate
- 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
Evidence of P or vP properties
- Remark:
- -Level III Fugacity data, published by Danish QSAR database
-non ready biodegradable; very persistent; Danish QSAR, published by ECHA
Conclusion
- Conclusion on P / vP properties:
- P not vP
- Remark:
- Level III Fugacity data, published by Danish QSAR database
Bioaccumulation
Evidence of non-B / non-vB properties
Screening criteria
- Not B and not vB based on: Log Kow ≤ 4.5
- Remark:
- log Kow=2.33 at 25 °C calculated by ACD labs software v11.01 and log Kow=2.71 calculated by Danish QSAR, published by ECHA
Criteria based on Annex XIII of REACH
- Not B and not vB based on: BCF ≤ 2,000 L/kg
- Remark:
- BCF=4.99 l/kg at pH=7 and BCF=21.89 l/kg at pH=8; both calcyulated by ACD labs software v11.02 and also BCF=28.35 l/kg calculated by Danish QSAR, publiched by ECHA
Other evidence of non-B / non-vB properties
- Remark:
- see conclusion
Conclusion
- Conclusion on B / vB properties:
- not B/vB
- Remark:
- The calculated parameters are reliable and directly comparable by both different QSAR-models.
Toxicity
Evidence of non-T properties
Criteria based on Annex XIII of REACH
Evidence of T properties
Conclusion
- Conclusion on T properties:
- not T
- Remark:
- Substance is classified as "aquatic chronic cat. 2" with H411 absed on Fathead minnow 96h LC50=29.86 mg/l (QSAR: Leadscope) and LC50=8.45 mg/l (QSAR: SciQSAR); Daphnia magna 48h EC50=4.81 mg/l (QSAR:Leadscope) and EC50=7.45 mg/l (QSAR:SciQSAR); Pseudokirchneriella s. 72h EC50=64.31 mg/l (QSAR: Leadscope) and EC50=1.09 mg/l (QSAR:SciQSAR).
In addition the substance is not classified as carcinogen (cat. 1A or 1B), germ cell mutagenic (cat. 1A or 1B) or toxic for reproduction (cat. 1A, 1B or 2) acc. to regulation no.1272/2008/EC.
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