| 2-dodecyl-3-hydroxy-1,4-naphthoquinone |
 |
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GENERAL INFORMATION 
Description: Chemical transformation product
Availability status: Not applicable
Introduction & key dates: Not applicable
EC Regulation 1107/2009 (repealing 91/414):
| Status | Not applicable |
| Dossier rapporteur/co-rapporteur | Not applicable |
| Date inclusion expires | Not applicable |
Approved for use (
) or known to be used (
) in the following European countries: 
AT |
BE |
BG |
CY |
CZ |
DE |
DK |
EE |
EL |
ES |
FI |
FR |
HR |
HU |
IE |
IT |
LT |
LU |
LV |
MT |
NL |
PL |
PT |
RO |
SE |
SI |
SK |
UK |
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General status:
| Pesticide type | Metabolite | |||
| Metabolite Type | Soil, Animal, Groundwater, Surface water | |||
| Substance group | Unclassified | |||
| Minimum active substance purity | - | |||
| Known relevant impurities | - | |||
| Substance origin | Synthetic | |||
| Mode of action | Not applicable | |||
| CAS RN | 57960-31-3 | |||
| EC number | - | |||
| CIPAC number | - | |||
| US EPA chemical code | Not applicable | |||
| Chiral molecule | No | |||
| Chemical formula | C22H30O3 | |||
| SMILES | O=C2c1ccccc1C(=O)C(/O)=C2/CCCCCCCCCCCC | |||
| International Chemical Identifier key (InChIKey) | KUUFMNYPHOKBFD-UHFFFAOYSA-N | |||
| International Chemical Identifier (InChI) | InChl=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-19-20(23)17-14-12-13-15-18(17)21(24)22(19)25/h12-15,25H,2-11,16H2,1H3 | |||
| Structure diagram/image available? | No | |||
| Molecular mass (g mol-1) | 342.47 | |||
| Chemical name | 2-dodecyl-3-hydroxy-1,4-naphthoquinone | |||
| Other status information | - | |||
| Herbicide Resistance Classification (HRAC) | Not applicable | |||
| Herbicide Resistance Classification (WSSA) | Not applicable | |||
| Insecticide Resistance Classification (IRAC) | Not applicable | |||
| Fungicide Resistance Classification (FRAC) | Not applicable | |||
| Examples of recorded resistance | - | |||
| Physical state | - | |||
| Related substances & organisms | - | |||
Can be a metabolite of:
| Parent | Formation medium | Estimated maximum occurrence fraction | 91/414 relevancy |
|
| acequinocyl | Soil | 0.338 | Major fraction, Relevant | |
Formulations:
| Property |
Value | |||
| Example manufacturers & suppliers of products using this active now or historically |
|
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| Example products using this active | - | |||
| UK LERAP status | Not applicable | |||
| Formulation and application details | - | |||
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Solubility - In water at 20oC (mg l-1) | - | - | - | |
| Solubility - In organic solvents at 20oC (mg l-1) | - | - | - | |
| Melting point (oC) | - | - | - | |
| Boiling point (oC) | - | - | - | |
| Degradation point (oC) | - | - | - | |
| Flashpoint (oC) | - | - | - | |
| Octanol-water partition coefficient at pH 7, 20oC | P | 9.77 X 1007 | Calculated | - |
| Log P | 7.99 | Q2 | High | |
| Bulk density (g ml-1)/Specific gravity | - | - | - | |
| Dissociation constant (pKa) at 25oC | - | - | - | |
| Note: | ||||
| Vapour pressure at 25oC (mPa) | - | - | - | |
| Henry's law constant at 25oC (Pa m3 mol-1) | - | - | - | |
| Henry's law constant at 20oC (dimensionless) | - | - | - | |
GUS leaching potential index  |
-1.21 | Calculated | Low leachability | |
| SCI-GROW groundwater index (μg l-1) for a 1 kg ha-1 or 1 l ha-1 application rate |
Value | 5.35 X 10-03 | Calculated | - |
| Note | Estimated concentrations of chemicals with Koc values greater than 9995 ml g-1 are beyond the scope of the regression data used in SCI-GROW development. If there are concerns for such chemicals, a higher tier groundwater exposure assessment should be considered, regardless of the concentration returned by SCI-GROW | |||
| Potential for particle bound transport index |
- | - | - | |
| Maximum UV-vis absorption L mol-1 cm-1 | - | - | - | |
| Surface tension (mN m-1) | - | - | - | |
Degradation:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Soil degradation (days) (aerobic) | DT50 (typical) | 23.5 | A5 | Non-persistent |
| DT50 (lab at 20oC) | 23.5 | A5 | Non-persistent | |
| DT50 (field) | 0.2 | A5 | Non-persistent | |
| DT90 (lab at 20oC) | - | - | - | |
| DT90 (field) | - | - | - | |
| Note | EU dossier lab studies DT50 range 2-33 days, field studies DT50 range 2.8-7.2 hours | |||
| Plant matrix DT50 (days) | Value | - | - | - |
| Note | - | |||
| Aqueous photolysis DT50 (days) at pH 7 | Value | - | - | - |
| Note | - | |||
| Aqueous hydrolysis DT50 (days) at 20oC and pH 7 | Value | - | - | - |
| Note | - | |||
| Water-sediment DT50 (days) | - | - | - | |
| Water phase only DT50 (days) | - | - | - | |
Soil adsorption and mobility:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Linear | Kd | 970 | A5 | Non-mobile |
| Koc | 75683 | |||
| Notes and range | EU dossier Kd range 27-3400 mL/g, Koc range 730-230000 mL/g, Soils=4; Later dossier Koc range 9000-230000 mL/g | |||
| Freundlich | Kf | - | - | - |
| Kfoc | - | |||
| 1/n | - | |||
| Notes and range | - | |||
| pH sensitivity | - | |||
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Bio-concentration factor | BCF (l kg-1) | - | - | - |
| CT50 (days) | - | - | ||
| Mammals - Acute oral LD50 (mg kg-1) | > 5000 | A5 Rat | Low | |
| Mammals - Short term dietary NOEL | (mg kg-1) | - | - | - |
| (ppm diet) | - | - | ||
| Birds - Acute LD50 (mg kg-1) | - | - | - | |
| Birds - Short term dietary (LC50/LD50) | - | - | - | |
| Fish - Acute 96 hour LC50 (mg l-1) | - | - | - | |
| Fish - Chronic 21 day NOEC (mg l-1) | - | - | - | |
| Aquatic invertebrates - Acute 48 hour EC50 (mg l-1) | 0.013 | A5 Daphnia magna | High | |
| Aquatic invertebrates - Chronic 21 day NOEC (mg l-1) | - | - | - | |
| Aquatic crustaceans - Acute 96 hour LC50 (mg l-1) | - | - | - | |
| Sediment dwelling organisms - Acute 96 hour LC50 (mg l-1) | - | - | - | |
| Sediment dwelling organisms - Chronic 28 day NOEC, static, water (mg l-1) | - | - | - | |
| Sediment dwelling organisms - Chronic 28 day NOEC, sediment (mg kg-1) | - | - | - | |
| Aquatic plants - Acute 7 day EC50, biomass (mg l-1) | - | - | - | |
| Non-target plants | - | - | - | |
| - | - | - | ||
| Algae - Acute 72 hour EC50, growth (mg l-1) | - | - | - | |
| Algae - Chronic 96 hour NOEC, growth (mg l-1) | - | - | - | |
| Honeybees | Contact acute 48 hour LD50 (μg bee-1) | - | - | - |
| Oral acute 48 hour LD50 (μg bee-1) | - | - | - | |
| Unknown mode acute 48 hour LD50 (μg bee-1) | - | - | - | |
| Earthworms - Acute 14 day LC50 (mg kg-1) | - | - | - | |
| Earthworms - Chronic 14 day NOEC, reproduction (mg kg-1) | - | - | - | |
| Other soil macro-organisms - e.g. Collembola | LR50 / EC50 / NOEC / % Effect | - | - | - |
| Other arthropod (1) | LR50 g ha-1 | - | - | - |
| % Effect | - | - | - | |
| Other arthropod (2) | LR50 g ha-1 | - | - | - |
| % Effect | - | - | - | |
| Soil micro-organisms | - | - | - | |
| Mesocosm study data | NOEAEC mg l-1 | - | - | - |
| NOEAEC mg l-1 | - | - | - | |
General:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| Threshold of Toxicological Concern (Cramer Class) |
Intermediate (class II) | - | - | |
| Mammals - Acute oral LD50 (mg kg-1) | > 5000 | A5 Rat | Low | |
| Mammals - Dermal LD50 (mg kg-1 body weight) | > 2000 | A5 Rat | - | |
| Mammals - Inhalation LC50 (mg l-1) | - | - | - | |
| Other Mammal toxicity endpoints | - | - | ||
| ADI - Acceptable Daily Intake (mg kg-1bw day-1) | - | - | - | |
| ARfD - Acute Reference Dose (mg kg-1bw day-1) | - | - | - | |
| AOEL - Acceptable Operator Exposure Level - Systemic (mg kg-1bw day-1) | - | - | - | |
| Dermal penetration studies (%) | - | - | - | |
| Dangerous Substances Directive 76/464 | - | - | - | |
| Exposure Limits | - | - | - | |
| Exposure Routes | Public | Risk of public exposure negligible as metabolite | ||
| Occupational | - | |||
| European MRLs | Click here for the EU MRL pesticide database | |||
| Drinking Water MAC (μg l-1) | - | - | - | |
Health issues:
| Carcinogen | Mutagen | Endocrine disrupter | Reproduction / development effects | Cholinesterase inhibitor | Neurotoxicant | |||
- |
- |
- |
- |
- |
- |
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| Respiratory tract irritant | Skin irritant | Skin sensitiser | Eye irritant | Phototoxicant | ||||
- |
- |
- |
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| General human health issues | No further information available | |||||||
: Yes, known to cause a problem
: No, known not to cause a problem
: Possibly, status not identified
- : No data found
Handling issues:
| Property |
Value | Source/Quality Score/Other Information |
Interpretation |
|
| General |
No information available | |||
| CLP classification 2013 | - | |||
| EC Risk Classification |
- | |||
| EC Safety Classification |
- | |||
| WHO Classification | NL | - | Not listed | |
| US EPA Classification (formulation) | Not applicable | - | - | |
| UN Number | - | |||
| Waste disposal & packaging |
- | |||
| Language | Name |
| English | 2-dodecyl-3-hydroxy-1,4-naphthoquinone |
| French | - |
| German | - |
| Danish | - |
| Italian | - |
| Spanish | - |
| Greek | - |
| Slovenian | 2-dodecil-3-hidroksi-1,4-naftokvinon |
| Polish | 2-dodecylo-3-hydroksy-1,4-naftochinon |
| Swedish | - |
| Hungarian | - |
| Dutch | - |
Record last updated: Wednesday 18 November 2015
Contact: aeru@herts.ac.uk