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EC number: 204-504-3 | CAS number: 121-89-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- data is from authoritative databases and handbooks
- Qualifier:
- according to guideline
- Guideline:
- other: as per mentioned below
- Principles of method if other than guideline:
- Partition Coefficient of 3-nitroacetophenone was determined.
- GLP compliance:
- no
- Type of method:
- other: not specified
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Name of test material (as cited in study report): 3-nitroacetophenone
Molecular formula :C8H7NO3
Molecular weight : 165.147
Smiles notation : c1(cc(ccc1)[N+](=O)[O])
C(C)=O
InChl :1S/C8H7NO3/c16(10)73248(57)
9(11)12/h25H,1H3
Substance type: Organic
Physical state: Solid - Key result
- Type:
- log Pow
- Partition coefficient:
- 1.42
- Remarks on result:
- other: No additional details mentioned
- Conclusions:
- The experimental octanol-water partition coefficient (Log Pow) of 3 nitroacetophenone was 1.42
- Executive summary:
Data from handbooks, authoritative and modelling databases suggests that the experimental LogPow of 3 nitroacetophenone was 1.42.This value indicates that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.
Reference
Description of key information
Data from handbooks, authoritative and modelling databases suggests that the experimental octanol-water partition coefficient (LogPow) of 3 nitroacetophenone was 1.42.This value indicates that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.42
Additional information
Data from handbooks, authoritative and modelling databases suggests that the experimental octanol-water partition coefficient (LogPow) of 3 nitroacetophenone was 1.42.
Partition Coefficient of 3-nitroacetophenone was estimated using KOWWIN v1.68.
The estimated octanol-water partition coefficient (LogPow) of 3 nitroacetophenone was 1.49.
The experimental and estimated values indicate that 3 nitroacetophenone is hydrophillic in nature which is also supported by its solubility in water.
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