ID1191
NameBDE-85
Synonyms2,2',3,4,4'-Pentabromodiphenyl ether
StructureThumb
Description
ClassificationCompounds > Pollution > Air and water pollutants > Polybrominated diphenyl ethers (PBDE)
CAS number182346-21-0
PubChem ID177368
ChEBI ID
FooDB ID
HMDB ID

Chemical data

MolDBi data

IUPAC Name1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene
Traditional IUPAC Name1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene
FormulaC12H5Br5O
InChIInChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H
InChI KeyDMLQSUZPTTUUDP-UHFFFAOYSA-N
Molecular weight564.691
Exact mass559.62573
SMILESBrC1=CC(Br)=C(OC2=C(Br)C(Br)=C(Br)C=C2)C=C1

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-85

TitleFirst authorYear
Assessment of current serum levels of PCDD/Fs, dl-PCBs and PBDEs in a Dutch cohort with known perinatal PCDD/F exposureLeijs2008
Inverse age-dependent accumulation of decabromodiphenyl ether and other PBDEs in serum from a general adult populationGari2013
A comparison of PBDE serum concentrations in Mexican and Mexican-American children living in CaliforniaEskenazi2011
Polybrominated diphenyl ethers (PBDE) in blood of children in Baden-Württemberg between 2002/03 and 2008/09Link2012
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
Polybrominated diphenyl ethers in blood from Korean incinerator workers and general populationLee2007
High postnatal exposures to polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) via breast milk in California: does BDE-209 transfer to breast milk?Park2011
Polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) in breast milk from the Pacific NorthwestShe2007
Partitioning of polybrominated diphenyl ethers (PBDEs) in serum and milk from the same mothersSchecter2010
Relationships between polybrominated diphenyl ether concentrations in house dust and serumJohnson2010
Significantly higher polybrominated diphenyl ether levels in young U.S. children than in their mothersLunder2010
Prenatal exposure to PBDEs and neurodevelopmentHerbstman2010
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
Determinants of serum polybrominated diphenyl ether (PBDE) levels among pregnant women in the CHAMACOS cohortCastorina2011
Prenatal exposure to polybrominated diphenyl ether flame retardants and neonatal thyroid-stimulating hormone levels in the CHAMACOS studyChevrier2011
Factors associated with serum polybrominated diphenyl ether (PBDE) levels among school-age children in the CHAMACOS cohortBradman2012
Determinants of prenatal exposure to polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) in an urban populationHerbstman2007
Distribution of polybrominated diphenyl ethers in human umbilical cord serum, paternal serum, maternal serum, placentas, and breast milk from Madrid population, SpainGomara2007
Polybrominated diphenyl ether levels in the blood of pregnant women living in an agricultural community in CaliforniaBradman2007
Concentrations and speciation of polybrominated diphenyl ethers in human amniotic fluidMiller2012
Polybrominated diphenyl ethers and synthetic musks in umbilical cord Serum, maternal serum, and breast milk from Seoul, South KoreaKang2010
Household exposures to polybrominated diphenyl ethers (PBDEs) in a Wisconsin CohortImm2009
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-85 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-85 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-85 with cancer risk

Cancer associations

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

Exposure data

Measurements of BDE-85 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-85 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