prohexadione
Identification (Source:EPA,EU)
ID |
1759 |
Name |
prohexadione |
CAS |
88805-35-0 |
IUPAC |
3,5-dioxo-4-propionylcyclohexanecarboxylic acid |
Inchi |
InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15) |
CIPAC |
567 |
EPA Code |
|
Formula |
C10H12O5 |
SMILES |
C1(CC(C(C(C1)=O)C(CC)=O)=O)C(=O)O |
Status |
Approved |
Classification
Properties (Source:PubChem)
Molecular Weight |
250.26 |
Physical State |
White powder |
AlogP |
-0.129 |
H-Bond Donor |
1 |
H-Bond Acceptor |
5 |
Surface Area |
210.3 |
Polar Surface Area |
88.51 |
Structure
Ecotoxicology (Source:PPDB,IPM)
Species |
Method |
Study Time |
Dose Type |
Value |
Algae |
Acute |
72 hour |
EC50, growth |
> 100 mg l-1 |
Aquatic invertebrates |
Chronic |
21 day |
NOEC |
100 mg l-1 |
Aquatic invertebrates |
Acute |
48 hour |
EC50 |
> 100 mg l-1 |
Aquatic plants |
Acute |
7 day |
EC50, biomass |
> 1.2 mg l-1 |
Birds |
Short term dietary |
|
LC50/LD50 |
> 1214 mg/kg bw/day |
Birds |
Acute |
|
LD50 |
> 2000 mg kg-1 |
Earthworms |
Acute |
14 day |
LD50 |
> 1000 mg kg-1 |
Fish |
Acute |
96 hour |
LC50 |
> 100 mg l-1 |
Fish |
Chronic |
21 day |
NOEC |
100 mg l-1 |
Honeybees |
Acute |
48 hour |
LD50 |
> 100 μg bee-1 |
Mammals |
Acute oral |
|
LD50 |
> 5000 mg kg-1 |
Mammals |
Short term dietary |
|
NOEL |
93.9 mg kg-1 |
Related targets
Target Name |
RScore (About this table) |
|
cryptochrome 1
|
2(0,0,0,2) |
Details |
GA19
|
1(0,0,0,1) |
Details |
cytochrome P450 (protein family or complex)
|
1(0,0,0,1) |
Details |
A20
|
1(0,0,0,1) |
Details |
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