ID1213
NameBDE-196
Synonyms2,2',3,3',4,4',5,6'-Octabromodiphenyl ether
StructureThumb
Description
ClassificationCompounds > Pollution > Air and water pollutants > Polybrominated diphenyl ethers (PBDE)
CAS number446255-39-6
PubChem ID71363036
ChEBI ID
FooDB ID
HMDB ID

Chemical data

MolDBi data

IUPAC Name1,2,3,4-tetrabromo-5-(2,3,4,6-tetrabromophenoxy)benzene
Traditional IUPAC Name1,2,3,4-tetrabromo-5-(2,3,4,6-tetrabromophenoxy)benzene
FormulaC12H2Br8O
InChIInChI=1S/C12H2Br8O/c13-3-1-5(15)12(11(20)8(3)17)21-6-2-4(14)7(16)10(19)9(6)18/h1-2H
InChI KeyIEWFKOVTVJNWFF-UHFFFAOYSA-N
Molecular weight801.379
Exact mass793.357269
SMILESBrC1=CC(Br)=C(Br)C(Br)=C1OC1=CC(Br)=C(Br)C(Br)=C1Br

ClassyFire Taxonomy

Description belongs to the class of organic compounds known as bromodiphenyl ethers. Bromodiphenyl ethers are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassDiphenylethers
Direct ParentBromodiphenyl ethers
Alternative Parents

Publications with BDE-196

TitleFirst authorYear
Levels and congener profiles of polybrominated diphenyl ethers (PBDEs) in breast milk from Shanghai: implication for exposure route of higher brominated BDEsMa2012
Cord blood levels of thyroid hormones and IGF-1 weakly correlate with breast milk levels of PBDEs in TaiwanShy2012
Brominated flame retardants in serum from the general population in northern ChinaZhu2009
Congener-specific body burden levels and possible determinants of polybrominated diphenyl ethers in the general Japanese populationUemura2010
Concentrations of polybrominated diphenyl ethers in breast milk correlated to maternal age, education level, and occupational exposureChao2010
Breast-milk levels of polybrominated diphenyl ether flame retardants in relation to women's age and pre-pregnant body mass indexKoh2010
Distribution of polybrominated diphenyl ethers in human umbilical cord serum, paternal serum, maternal serum, placentas, and breast milk from Madrid population, SpainGomara2007
Neurodevelopment of infants with prenatal exposure to polybrominated diphenyl ethersShy2011
Polybrominated diphenyl ethers and synthetic musks in umbilical cord Serum, maternal serum, and breast milk from Seoul, South KoreaKang2010
Exposure assessment of French women and their newborn to brominated flame retardants: determination of tri- to deca- polybromodiphenylethers (PBDE) in maternal adipose tissue, serum, breast milk and cord serumAntignac2009

Biomarker data

Measurements of BDE-196 in biospecimens

Concentration values

IDParent IDDepthSubject groupPopulationCountryCohortBiomarker Time definitionBiospecimenAnalytical methodBiomarkerBiomarker detailMeasurement sizeDetected (nb)Detected (%)Detected only?Arithmethic meanArithmethic SDGeometric meanGeometric SDMinMin (detected)Percentile_05Percentile_10Percentile_25MedianPercentile_75Percentile_90Percentile_95MaxInterquartile rangeMean 95% CI lowerMean 95% CI upperGMean 95% CI lowerGMean 95% CI upperUnitConverted arithmetic meanConverted geometric meanConverted medianConverted unitAdjustment typeAdjusted onRegressed onExpressed asPublication

Reproducibility values

IDExcretion IDSubject groupPopulationCountryCohortBiomarker Time definitionBiospecimenAnalytical methodBiomarkerBiomarker detailArithmetic meanGeometric meanMedianUnitAdjusted onReproducibility sizeICCICC 95% CI lowerICC 95% CI upperCV% WSCV% BSVAR WSVAR BSPublication

Associations of BDE-196 with exposures

Correlation values

IDIntake IDExcretion IDSubject groupPopulationCountryCohortIntake Time definitionIntake Assessment methodIntakeIntake detailSupplement intakes included?Intake Arithmetic meanIntake Geometric meanIntake MedianIntake UnitIntake Adjusted onBiomarker Time definitionBiospecimenAnalytical methodBiomarkerBiomarker detailBiomarker Arithmetic meanBiomarker Geometric meanBiomarker MedianBiomarker UnitBiomarker Adjusted onCorrelation sizeCorrelation typeCorrelation valueCorrelation 95% CI lowerCorrelation 95% CI upperCorrelation p-valueSignificant?Measurement adjustmentDeattenuated?CovariatesPublication

Metabolomic associations

IDIntake IDExcretion IDSubject groupPopulationCountryCohortNo. of subjectsIntake Assessment methodIntakeIntervention doseBiospecimenAnalytical methodBiomarkerStructural identificationFeature selectionArea under curveSensitivitySpecificityPLS-DA VIPBeta coefficientBeta coefficient p-valueANOVA p-valuePublication

Associations of BDE-196 with cancer risk

Cancer associations

IDExcretion IDSubject groupPopulationCountryCohortNo. of subjectsNo. of casesNo. of controlsBiospecimenAnalytical methodBiomarkerBiomarker detailCancerStudy designPublication

Exposure data

Measurements of BDE-196 exposures in populations

Intake values

IDParent IDDepthSubject groupPopulationCountryCohortIntake Time definitionIntake assessment toolIntake food coverageIntake time coverageIntake Assessment methodIntakeIntake detailFood descriptionSupplement intakes included?Measurement sizeDetected (nb)Detected (%)Detected only?Arithmethic meanArithmethic SDGeometric meanGeometric SDMinMin (detected)Percentile_05Percentile_10Percentile_25MedianPercentile_75Percentile_90Percentile_95MaxInterquartile rangeMean 95% CI lowerMean 95% CI upperGMean 95% CI lowerGMean 95% CI upperUnitConverted arithmetic meanConverted geometric meanConverted medianConverted unitAdjustment typeAdjusted onRegressed onExpressed asPublication

Associations of BDE-196 exposures with biomarkers

Correlation values

IDIntake IDExcretion IDSubject groupPopulationCountryCohortIntake Time definitionIntake Assessment methodIntakeIntake detailSupplement intakes included?Intake Arithmetic meanIntake Geometric meanIntake MedianIntake UnitIntake Adjusted onBiomarker Time definitionBiospecimenAnalytical methodBiomarkerBiomarker detailBiomarker Arithmetic meanBiomarker Geometric meanBiomarker MedianBiomarker UnitBiomarker Adjusted onCorrelation sizeCorrelation typeCorrelation valueCorrelation 95% CI lowerCorrelation 95% CI upperCorrelation p-valueSignificant?Measurement adjustmentDeattenuated?CovariatesPublication