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2,2'-Bisphenol F
2467-02-9 | DTXSID4022446

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID4022446'.

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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: 2,2'-Methylenediphenol

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

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

InChIKey: MQCPOLNSJCWPGT-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/DTXSID4022446 (accessed July 22, 2018), 2,2'-Bisphenol F

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

-

2.79 (5)

-

2.90

-

1.84 to 3.40

-

Water Solubility

-

1.03e-02 (4)

-

2.25e-03

-

1.42e-03 to 3.52e-02

mol/L

Density

-

1.22 (2)

-

1.22

-

1.21 to 1.23

g/cm^3

Flash Point

-

174 (2)

-

174

-

172 to 177

°C

Melting Point

118 (1)

115 (4)

-

116

118

99.4 to 129

°C

Boiling Point

-

342 (5)

-

336

-

327 to 363

°C

Surface Tension

-

47.8 (2)

-

47.8

-

41.9 to 53.6

dyn/cm

Thermal Conductivity

-

144 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

7.56e-06 (4)

-

4.91e-06

-

5.07e-08 to 2.04e-05

mmHg

Viscosity

-

19.4 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.18 (1)

- - - - -

Henry's Law

-

2.86e-10 (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 - - -
Predicted

2.79 (5)

2.90

1.84 to 3.40

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

3.40

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.03e-02 (4)

2.25e-03

1.42e-03 to 3.52e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.04e-03 mol/L

Not Available

Not Available

NICEATM

3.52e-02 mol/L

Not Available

Available

OPERA

2.45e-03 mol/L

OPERA Model Report

Available

TEST

1.42e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.22 (2)

1.22

1.21 to 1.23

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.21 g/cm^3

Not Available

Not Available

TEST

1.23 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

174 (2)

174

172 to 177

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

177 °C

Not Available

Not Available

TEST

172 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

118 (1)

-

118

Predicted

115 (4)

116

99.4 to 129

Experimental

Source

Result

TCI

118 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

129 °C

Not Available

Not Available

NICEATM

110 °C

Not Available

Available

TEST

99.4 °C

TEST Report

Not Available

OPERA

122 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

342 (5)

336

327 to 363

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

352 °C

Not Available

Not Available

NICEATM

327 °C

Not Available

Available

ACD/Labs

363 °C

Not Available

Not Available

TEST

336 °C

TEST Report

Not Available

OPERA

332 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

47.8 (2)

47.8

41.9 to 53.6

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

53.6 dyn/cm

Not Available

Not Available

TEST

41.9 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

144 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

144 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

7.56e-06 (4)

4.91e-06

5.07e-08 to 2.04e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.91e-07 mmHg

Not Available

Available

ACD/Labs

9.22e-06 mmHg

Not Available

Not Available

TEST

2.04e-05 mmHg

TEST Report

Not Available

OPERA

5.07e-08 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

19.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

19.4 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

2.86e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.86e-10 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.

-

467 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

5.57e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

15.1 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.75e-01 (1)

- - - -

days

Bioconcentration Factor

-

28.7 (3)

-

22.2

-

10.8 to 53.1

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

467 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

467 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

5.57e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.57e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

15.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

15.1 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.75e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.75e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

28.7 (3)

22.2

10.8 to 53.1

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

10.8

Not Available

Available

TEST

22.2

TEST Report

Not Available

OPERA

53.1

OPERA Model Report

Available

Found 18 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2,2'-Bisphenol F
2,2'-Methylenediphenol
Phenol, 2,2'-methylenebis-
2467-02-9 Active CAS-RN
bis(2-Hydroxyphenyl)methane
Phenol, 2,​2'-​methylenebis-
Phenol, 2,2'-methylenedi-
2,2'-Bis(hydroxyphenyl)methane
2,2'-Methylenediphenol
o,o'-Bis(hydroxyphenyl)methane
2,2'-methylenediphenol
2,2'-metilenodifenol
EINECS 219-578-2
o-(o-Hydroxybenzyl)phenol
2,2'-Methylenebis(phenol)
NSC 402103
2,2'-Dihydroxydiphenylmethane
UNII-04D0A23747 FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

7289th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.90e-08

4.38e-06

Ages 12-19

3.15e-08

3.06e-06

Ages 20-65

2.26e-08

1.98e-06

Ages 65+

1.97e-08

1.83e-06

BMI > 30

1.85e-08

1.96e-06

BMI < 30

2.86e-08

3.39e-06

Repro. Age Females

2.67e-08

2.73e-06

Females

2.12e-08

2.76e-06

Males

1.31e-08

1.34e-06

Total

2.60e-08

2.47e-06

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