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Bisphenol P
2167-51-3 | DTXSID0058693

Searched by Approved Name: Found 1 result for 'alpha,alpha'-Bis(4-hydroxyphenyl)-1,4-diisopropylbenzene'.

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Intrinsic Properties

Molecular Formula: C24H26O2

Average Mass: 346.47 g/mol

Monoisotopic Mass: 346.193280 g/mol

Structural Identifiers

IUPAC Name: 4,4'-[1,4-Phenylenedi(propane-2,2-diyl)]diphenol

SMILES: CC(C)(C1=CC=C(O)C=C1)C1=CC=C(C=C1)C(C)(C)C1=CC=C(O)C=C1

InChI String: InChI=1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3

InChIKey: GIXXQTYGFOHYPT-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/DTXSID0058693 (accessed July 21, 2018), Bisphenol P

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

-

5.79 (5)

-

6.12

-

4.18 to 6.47

-

Water Solubility

-

4.24e-06 (4)

-

2.97e-06

-

2.59e-07 to 1.08e-05

mol/L

Density

-

1.10 (2)

-

1.10

-

1.09 to 1.11

g/cm^3

Flash Point

-

227 (2)

-

227

-

224 to 230

°C

Melting Point

-

179 (4)

-

186

-

142 to 201

°C

Boiling Point

-

446 (5)

-

425

-

410 to 515

°C

Surface Tension

-

43.3 (1)

- - - -

dyn/cm

Thermal Conductivity

-

137 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

8.12e-09 (4)

-

3.08e-09

-

3.21e-11 to 2.63e-08

mmHg

LogKoa: Octanol-Air

-

9.45 (1)

- - - - -

Henry's Law

-

1.79e-07 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.60 (1)

- - - - -

Molar Refractivity

-

106 (1)

- - - -

cm^3

Molar Volume

-

313 (1)

- - - -

cm^3

Polarizability

-

42.1 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

5.79 (5)

6.12

4.18 to 6.47

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

6.25

Not Available

Not Available

NICEATM

4.18

Not Available

Available

ACD/Labs Consensus

5.92

Not Available

Not Available

ACD/Labs

6.12

Not Available

Not Available

OPERA

6.47

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.24e-06 (4)

2.97e-06

2.59e-07 to 1.08e-05

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.26e-07 mol/L

Not Available

Not Available

NICEATM

5.62e-06 mol/L

Not Available

Available

TEST

2.59e-07 mol/L

TEST Report

Not Available

OPERA

1.08e-05 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.10 (2)

1.10

1.09 to 1.11

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.11 g/cm^3

Not Available

Not Available

TEST

1.09 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

227 (2)

227

224 to 230

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

230 °C

Not Available

Not Available

TEST

224 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

179 (4)

186

142 to 201

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

199 °C

Not Available

Not Available

NICEATM

201 °C

Not Available

Available

TEST

142 °C

TEST Report

Not Available

OPERA

173 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

446 (5)

425

410 to 515

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

471 °C

Not Available

Not Available

NICEATM

425 °C

Not Available

Available

ACD/Labs

515 °C

Not Available

Not Available

TEST

410 °C

TEST Report

Not Available

OPERA

412 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

43.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

43.3 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

137 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

137 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

8.12e-09 (4)

3.08e-09

3.21e-11 to 2.63e-08

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.91e-09 mmHg

Not Available

Available

ACD/Labs

3.21e-11 mmHg

Not Available

Not Available

TEST

2.63e-08 mmHg

TEST Report

Not Available

OPERA

2.47e-10 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.45 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.45

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.79e-07 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.79e-07 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.60 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.60

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

106 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

106 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

313 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

313 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

42.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

42.1 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

107000 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.67e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

40.6 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

6.15e-01 (1)

- - - -

days

Bioconcentration Factor

-

1030 (3)

-

293

-

74.1 to 2720

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

107000 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

107000 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.67e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.67e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

40.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

40.6 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

6.15e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.15e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1030 (3)

293

74.1 to 2720

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

74.1

Not Available

Available

TEST

293

TEST Report

Not Available

OPERA

2720

OPERA Model Report

Available

Found 6 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Bisphenol P
4,4'-[1,4-Phenylenedi(propane-2,2-diyl)]diphenol
Phenol, 4,4'-[1,4-phenylenebis(1-methylethylidene)]bis-
2167-51-3 Active CAS-RN
4,4'-[1,4-Phenylenebis(1-methylethylidene)] bis-phenol
alpha,alpha'-Bis(4-hydroxyphenyl)-1,4-diisopropylbenzene
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

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Executive Summary

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