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2,2'-Dihydroxybenzophenone
835-11-0 | DTXSID8022404

Searched by Approved Name: Found 1 result for '2,2'-Dihydroxybenzophenone'.

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Intrinsic Properties

Molecular Formula: C13H10O3

Average Mass: 214.22 g/mol

Monoisotopic Mass: 214.062994 g/mol

Structural Identifiers

IUPAC Name: Bis(2-hydroxyphenyl)methanone

SMILES: OC1=CC=CC=C1C(=O)C1=C(O)C=CC=C1

InChI String: InChI=1S/C13H10O3/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8,14-15H

InChIKey: YIYBRXKMQFDHSM-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/DTXSID8022404 (accessed July 16, 2018), 2,2'-Dihydroxybenzophenone

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

-

3.14 (5)

-

3.74

-

1.94 to 3.82

-

Water Solubility

-

8.23e-03 (4)

-

3.78e-04

-

3.01e-05 to 3.21e-02

mol/L

Density

-

1.32 (2)

-

1.32

-

1.30 to 1.34

g/cm^3

Flash Point

-

181 (2)

-

181

-

167 to 196

°C

Melting Point

60.7 (3)

112 (4)

59.5

113

59.5 to 63.0

80.3 to 142

°C

Boiling Point

333 (1)

343 (5)

-

333

333

316 to 375

°C

Surface Tension

-

59.7 (1)

- - - -

dyn/cm

Vapor Pressure

-

2.47e-05 (4)

-

6.53e-07

-

3.64e-09 to 9.73e-05

mmHg

Viscosity

-

21.6 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.18 (1)

- - - - -

Henry's Law

-

2.05e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.65 (1)

- - - - -

Molar Refractivity

-

59.8 (1)

- - - -

cm^3

Molar Volume

-

164 (1)

- - - -

cm^3

Polarizability

-

23.7 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

3.14 (5)

3.74

1.94 to 3.82

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.74

Not Available

Not Available

NICEATM

1.94

Not Available

Available

ACD/Labs Consensus

3.82

Not Available

Not Available

ACD/Labs

3.76

Not Available

Not Available

OPERA

2.43

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

8.23e-03 (4)

3.78e-04

3.01e-05 to 3.21e-02

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

4.19e-04 mol/L

Not Available

Not Available

NICEATM

3.21e-02 mol/L

Not Available

Available

OPERA

3.01e-05 mol/L

OPERA Model Report

Available

TEST

3.38e-04 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.32 (2)

1.32

1.30 to 1.34

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.30 g/cm^3

Not Available

Not Available

TEST

1.34 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

181 (2)

181

167 to 196

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

167 °C

Not Available

Not Available

TEST

196 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

60.7 (3)

59.5

59.5 to 63.0

Predicted

112 (4)

113

80.3 to 142

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

59.5 °C

TCI

63.0 °C

PhysPropNCCT

59.5 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

142 °C

Not Available

Not Available

NICEATM

104 °C

Not Available

Available

TEST

122 °C

TEST Report

Not Available

OPERA

80.3 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

333 (1)

-

333

Predicted

343 (5)

333

316 to 375

Experimental

Source

Result

PhysPropNCCT

333 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

375 °C

Not Available

Not Available

NICEATM

316 °C

Not Available

Available

ACD/Labs

329 °C

Not Available

Not Available

TEST

361 °C

TEST Report

Not Available

OPERA

333 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

59.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

59.7 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

2.47e-05 (4)

6.53e-07

3.64e-09 to 9.73e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.74e-07 mmHg

Not Available

Available

ACD/Labs

9.73e-05 mmHg

Not Available

Not Available

TEST

1.13e-06 mmHg

TEST Report

Not Available

OPERA

3.64e-09 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

21.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

21.6 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

2.05e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.05e-10 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.65 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.65

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

59.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

59.8 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

164 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

164 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

23.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

23.7 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

229 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

3.53e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

15.1 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.18e-01 (1)

- - - -

days

Bioconcentration Factor

-

32.4 (3)

-

36.6

-

16.9 to 43.6

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

229 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

229 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

3.53e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.53e-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

1.18e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.18e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

32.4 (3)

36.6

16.9 to 43.6

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

36.6

Not Available

Available

TEST

16.9

TEST Report

Not Available

OPERA

43.6

OPERA Model Report

Available

Found 6 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2,2'-Dihydroxybenzophenone
Bis(2-hydroxyphenyl)methanone
Methanone, bis(2-hydroxyphenyl)-
835-11-0 Active CAS-RN
2,2'-Dihydroxy benzophenone
EINECS 212-639-4
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

4093rd highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.86e-07

1.96e-05

Ages 12-19

1.83e-07

1.45e-05

Ages 20-65

1.19e-07

1.10e-05

Ages 65+

1.50e-07

9.56e-06

BMI > 30

1.33e-07

8.68e-06

BMI < 30

1.94e-07

1.12e-05

Repro. Age Females

1.63e-07

1.08e-05

Females

1.43e-07

1.30e-05

Males

1.33e-07

1.19e-05

Total

1.69e-07

1.43e-05

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