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Bis(4-hydroxyphenyl)methane
620-92-8 | DTXSID9022445

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID9022445'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C13H12O2

Average Mass: 200.237 g/mol

Monoisotopic Mass: 200.083730 g/mol

Structural Identifiers

IUPAC Name: 4,4'-Methylenediphenol

SMILES: OC1=CC=C(CC2=CC=C(O)C=C2)C=C1

InChI String: InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2

InChIKey: PXKLMJQFEQBVLD-UHFFFAOYSA-N

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Structural Skeleton Full Structure

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Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID9022445 (accessed May 25, 2018), Bis(4-hydroxyphenyl)methane

Data Quality

Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers

Level 2:Expert curated, unique chemical identifiers using multiple sources

Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem

Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem

Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source

No Quality Control Notes.

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

2.91 (1)

2.73 (5)

-

2.90

2.91

1.84 to 3.14

-

Water Solubility

-

5.25e-03 (4)

-

2.53e-03

-

8.30e-04 to 1.51e-02

mol/L

Density

-

1.21 (2)

-

1.21

-

1.21 to 1.22

g/cm^3

Flash Point

-

187 (2)

-

187

-

181 to 193

°C

Melting Point

161 (6)

155 (4)

161

148

160 to 163

129 to 195

°C

Boiling Point

-

354 (5)

-

352

-

332 to 390

°C

Surface Tension

-

48.5 (2)

-

48.5

-

43.4 to 53.6

dyn/cm

Thermal Conductivity

-

145 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

3.32e-06 (4)

-

7.29e-07

-

4.89e-08 to 1.18e-05

mmHg

Viscosity

-

18.9 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.18 (1)

- - - - -

Henry's Law

-

1.25e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.64 (1)

- - - - -

Molar Refractivity

-

59.3 (1)

- - - -

cm^3

Molar Volume

-

166 (1)

- - - -

cm^3

Polarizability

-

23.5 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

2.91 (1)

-

2.91

Predicted

2.73 (5)

2.90

1.84 to 3.14

Experimental

Source

Result

PhysPropNCCT

2.91

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.06

Not Available

Not Available

NICEATM

1.84

Not Available

Available

ACD/Labs Consensus

2.90

Not Available

Not Available

ACD/Labs

2.73

Not Available

Not Available

OPERA

3.14

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

5.25e-03 (4)

2.53e-03

8.30e-04 to 1.51e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.71e-03 mol/L

Not Available

Not Available

NICEATM

1.51e-02 mol/L

Not Available

Available

OPERA

2.36e-03 mol/L

OPERA Model Report

Available

TEST

8.30e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.21 (2)

1.21

1.21 to 1.22

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.21 g/cm^3

Not Available

Not Available

TEST

1.22 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

187 (2)

187

181 to 193

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

193 °C

Not Available

Not Available

TEST

181 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

161 (6)

161

160 to 163

Predicted

155 (4)

148

129 to 195

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

163 °C

Jean-Claude Bradley Open Melting Point Dataset

161 °C

TCI

160 °C

Alfa Aesar

161 °C

Alfa Aesar

161 °C

PhysPropNCCT

163 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

129 °C

Not Available

Not Available

NICEATM

160 °C

Not Available

Available

TEST

136 °C

TEST Report

Not Available

OPERA

195 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

354 (5)

352

332 to 390

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

352 °C

Not Available

Not Available

NICEATM

342 °C

Not Available

Available

ACD/Labs

390 °C

Not Available

Not Available

TEST

352 °C

TEST Report

Not Available

OPERA

332 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

48.5 (2)

48.5

43.4 to 53.6

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

53.6 dyn/cm

Not Available

Not Available

TEST

43.4 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

145 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

145 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

3.32e-06 (4)

7.29e-07

4.89e-08 to 1.18e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.38e-07 mmHg

Not Available

Available

ACD/Labs

1.22e-06 mmHg

Not Available

Not Available

TEST

1.18e-05 mmHg

TEST Report

Not Available

OPERA

4.89e-08 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

18.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

18.9 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.18 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.18

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.25e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.25e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.64 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.64

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

59.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

59.3 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

166 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

166 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

23.5 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

23.5 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

633 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

5.58e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

15.2 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

5.38e-01 (1)

- - - -

days

Bioconcentration Factor

-

38.3 (3)

-

32.0

-

29.6 to 53.2

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

633 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

633 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

5.58e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.58e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

15.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

15.2 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

5.38e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.38e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

38.3 (3)

32.0

29.6 to 53.2

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

29.6

Not Available

Available

TEST

32.0

TEST Report

Not Available

OPERA

53.2

OPERA Model Report

Available

Found 37 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Bis(4-hydroxyphenyl)methane
4,4'-Methylenediphenol
Phenol, 4,4'-methylenebis-
620-92-8 Active CAS-RN
4,4'-Methylenediphenol
Phenol, 4,4'-methylenebis-
Phenol, p,p'-methylenedi-
4,4'-Methylenebis[phenol]
1,1-Bis(4-hydroxyphenyl)methane
4,4'-Bis(hydroxyphenyl)methane
Bis(p-hydroxyphenyl)methane
HDM
PP-BIP-F
p,p'-BPF
p-(p-Hydroxybenzyl)phenol
4,4'-metilendifenol
4,4'-dihydroxydiphenylmethane
METHANE, BIS(4-HYDROXYPHENYL)-
4-06-00-06664 Beilstein Registry Number
BRN 2049425
4,4'-Dihydroxydiphenylmethane
EINECS 210-658-2
4,4'-Methylene diphenol
4,4'-Methylenebisphenol
NSC 401136
Phenol, 4,4'-methylenedi-
UNII-QD2C19044Z FDA Registry Number
4,4'-bisphenol F
4,4'-methylenebis(phenol)
4,4'-methylenediphenol
BPF
bis(p-hydroxyphenyl)methane
bis(para-hydroxyphenyl)methane
p,p'-bis(hydroxyphenyl)methane
p-(p-hydroxybenzyl)phenol
para-(para-hydroxybenzyl)phenol
1429425-30-8 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

5102nd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.95e-07

1.52e-05

Ages 12-19

1.62e-07

7.78e-06

Ages 20-65

1.54e-07

7.06e-06

Ages 65+

1.18e-07

8.88e-06

BMI > 30

1.18e-07

7.59e-06

BMI < 30

1.61e-07

9.87e-06

Repro. Age Females

1.26e-07

8.04e-06

Females

1.25e-07

7.35e-06

Males

1.05e-07

8.24e-06

Total

1.27e-07

1.20e-05

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