ChemicalDetails_L_SubstanceIdentity
Chemical_L_CASNum 124072
Chemical_L_Name Octanoic acid
Chemical_L_TypeID Organic
Chemical_L_Smile O=C(O)CCCCCCC
Chemical_L_Moiety organic
ChemicalDetails_L_CategorisationResults

Categorisation_L_MeetCanadaGovCriteria No
Categorisation_L_MeetHHealthCriteria No
Categorisation_L_MeetEnvCriteria No
Categorisation_L_Persistent No
Categorisation_L_RationalForP QSAR
Categorisation_L_Bioaccumulative No
Categorisation_L_RationalForB QSAR
Categorisation_L_IToxicToAquaOrganism No
Categorisation_L_RationalForIT QSAR
Categorisation_L_DSLQuantityRange >1000T

ChemicalDetails_L_EcologicalDecisions

ChemicalDetails_L_Persistency

Persistency_L_MediaID Water
Persistency_L_BiodegradatHalfExp Not Available
Persistency_L_BiodegradatRSS
124072.doc
Persistency_L_BiodegradatHalfPre 8.67
Persistency_L_BiodegradatHalfMiti 0.8903
Persistency_L_BiodegradatHalfTopKat 1
Persistency_L_OzonHalfPre 999
Persistency_L_AtmosOxyPre 1.281

ChemicalDetails_L_Bioaccumulation

BioAccumulation_L_EmpLogKow 3.05
BioAccumulation_L_LogKOWPredictedKOWWin 3.03
BioAccumulation_L_LogBAFPredictedGobas 1.86508022126055
BioAccumulation_L_LogBCFPredictedGobas 1.7643607607128
BioAccumulation_L_LogBCFPredictedOasis 2.42711746646358
BioAccumulation_L_LogBCFPredictedBCFwin 0.5

ChemicalDetails_L_Toxicity

Toxicity_L_Pivotal 209.1
Toxicity_L_Minnow 209.1
Toxicity_L_FByEcosar 115.03
Toxicity_L_FByOasis 24.5644
Toxicity_L_FByAster 13.598557
Toxicity_L_FByPNN 172.23225
Toxicity_L_DByTopKat 0.0056
Toxicity_L_FDAMSByEcosar 15.904
Toxicity_L_DAByEcosar 10.652
Toxicity_L_FByQSAR 0.11503380657

ChemicalDetails_L_HumanHealth
ChemicalDetails_L_Exposure

Exposure_L_StatusExpId Greatest Potential for Exposure (HC Simple Exposure Tool)

ChemicalDetails_L_PrevAssessments

ChemicalDetails_L_SimHaz


ChemicalDetails_L_ComHaz

Carcinogencity

ComHaz_L_ScreeningOutcomeId Negative
ComHaz_L_ScreeningMethodId
ComHaz_L_DataResults_DataValue_Units
ComHaz_L_Reference TOPKAT v6.2 CASETOX v1.56 Harkin, 1968, J AM OIl Chem Soc, 45:26 (as cited in BIBRA, 1988)

Genotoxicity

ComHaz_L_ScreeningOutcomeId Negative
ComHaz_L_ScreeningMethodId
ComHaz_L_DataResults_DataValue_Units in vitro Mutagenicity
ComHaz_L_Reference LBI, 1976, unpublished data (as cited in BIBRA, 1988) Zeiger, 1988, Environ Mol Mutagen, 19(Suppl. 21):2-141 FDA,1976, unpublished data Heck, 1989, Toxicologist, 9(1):257 (all cited in JECFA, 1998)

Developmental Toxicity

ComHaz_L_ScreeningOutcomeId Negative
ComHaz_L_ScreeningMethodId
ComHaz_L_DataResults_DataValue_Units LO(A)EL 1500 mg/kg bw
ComHaz_L_Reference Narotsky, 1994, Fundam Appl Toxicol, 22:251-265. (as cited in JECFA, 1998) Collins (abstract only), 1986, Teratology, 33:45C, Abstract 50 (as cited in BIBRA, 1988) Nau, 1986, Fund Appl Toxic 6:669 (as cited in BIBRA, 1988)