QSAR/read-across for REACH

List of endpoints that we predict:

PHISICO-CHEMICAL PROPERTIES

REACHEndpointTEST
7.2Melting/freezing pointOECD 102
7.3Boiling pointOECD 103
7.4Relative densityOECD 109
7.5Vapour pressureOECD 104
7.6Surface tensionOECD 115
7.7Water solubilityOECD 105
7.8Partition coefficient n-octanol/waterOECD 107, 117, 123
7.9Flash-pointEU A.9
7.10FlammabilityEU A.10, EU A.12, EU A.13
7.11Explosive propertiesEU A.14
7.12Self-ignition temperatureEU A.15
7.13Oxidising propertiesEU A.17
7.14Granulometry 
7.15Stability in organic solvents and identity of relevant degradation products 
7.16Dissociation constantOECD 112
7.17ViscosityOECD 114

 

TOXICITY

REACHEndpointTEST
8.1Skin irritation or skin corrosionOECD 439, 430, 431, 435, EU B.40, EU B.40 bis
8.1.1In vivo skin irritationOECD 439, 430, 431, 435
8.2Eye irritationEU B.47, OECD 437, EU B.48, OECD 438, OECD 460, OECD 491, OECD 492
8.2.1In vivo eye irritationOECD 405
8.3Skin sensitisationOECD 429, 406, 442A, 442B, 442C, 442D, 442E,
8.4MutagenicityOECD 473
8.4.1In vitro gene mutation study in bacteriaOECD 471
8.4.2In vitro cytogenicity study in mammalian cells or in vitro micronucleus studyOECD 487
8.4.3In vitro gene mutation study in mammalian cellsOECD 490
8.5Acute toxicity 
8.5.1By oral routeOECD 420, 423, 425
8.5.2Acute toxicity By inhalationOECD 403, 433, 436
8.5.3Acute toxicity By dermal routeOECD 402
8.6Repeated dose toxicity 
8.6.1Short-term repeated dose toxicity study (28 days), one species, male and female, most appropriate route of administration, having regard to the likely route of human exposure.OECD 422
8.6.2Sub-chronic toxicity study (90- day), one species, rodent, male and female, most appropriate route of administration, having regard to the likely route of human exposure. 
8.7Reproductive toxicity 
8.7.1Screening for reproductive/developmental toxicity, one speciesOECD 421, 422
8.7.2Pre-natal developmental toxicity study, one species, most appropriate route of administration, having regard to the likely route of human exposureOECD 414
8.7.3Two-generation reproductive toxicity study, one species, male and female, most appropriate route of administration, having regard to the likely route of human exposureOECD 416
8.9.1Carcinogenicity studyOECD 451, 453

 

ECOTOXICITY

REACHEndpointTEST
9.1Aquatic toxicity 
9.1.1Short-term toxicity testing on invertebrates (preferred species Daphnia)OECD 202
9.1.2Growth inhibition study aquatic plants (algae preferred)OECD 201, 221
9.1.3Short-term toxicity testing on fish: the registrant may consider long-term toxicity testing instead of short- term.OECD 203, OECD 236, OECD 210
9.1.4Activated sludge respiration inhibition testingOECD 209
9.1.5Long-term toxicity testing on invertebrates (preferred species Daphnia)OECD Guideline 211/ EU Method C.20
9.1.6Long-term toxicity testing on fish 
9.1.6.1Fish early-life stage (FELS) toxicity testOECD TG 210
9.1.6.2Fish short-term toxicity test on embryo and sac-fry stagesOECD 212
9.1.6.3Fish, juvenile growth testOECD 215
9.2.1Degradation (biotic) 
9.2.1.1Ready biodegradabilityOECD 301
9.2.1.2Simulation testing on ultimate degradation in surface waterOECD 309
9.2.1.3Soil simulation testingOECD 307
9.2.1.4Sediment simulation testingOECD 308
9.2.2.1Hydrolysis as a function of pHOECD 111
9.2.3Identification of degradation products 
9.3.1Adsorption/desorption screeningOECD 106, OECD 121
9.3.2Bioaccumulation in aquatic species, preferably fishOECD 305
9.4Effects on terrestrial organisms 
9.4.1Short-term toxicity to invertebratesOECD 214
9.4.2Effects on soil micro-organisms 
9.4.3Short-term toxicity to plants 
9.4.4Long-term toxicity testing on invertebrates 
9.4.6Long-term toxicity testing on plants 
9.5.1Long-term toxicity to sediment organisms 
9.6.1Long-term or reproductive toxicity to birds
Any question?