Success!

Failed to copy.

2,4-Diacetylphloroglucinol
2161-86-6 | DTXSID10175995

Searched by CAS-RN: Found 1 result for '2161-86-6'.

Image not found
Wikipedia
Imgnotfound
Intrinsic Properties

Molecular Formula: C10H10O5

Average Mass: 210.185 g/mol

Monoisotopic Mass: 210.052823 g/mol

Structural Identifiers

IUPAC Name: 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(ethan-1-one)

SMILES: CC(=O)C1=C(O)C(C(C)=O)=C(O)C=C1O

InChI String: InChI=1S/C10H10O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3,13-15H,1-2H3

InChIKey: PIFFQYJYNWXNGE-UHFFFAOYSA-N

Search Google for:

Structural Skeleton Full Structure

Imgnotfound

Citation

U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID10175995 (accessed April 25, 2018), 2,4-Diacetylphloroglucinol

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

Loaded based on no conflicts with this data in chemid and pubchem

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

2.86 (5)

-

3.02

-

1.82 to 4.40

-

Water Solubility

-

1.07e-01 (4)

-

4.46e-03

-

1.77e-03 to 4.18e-01

mol/L

Density

-

1.42 (1)

- - - -

g/cm^3

Flash Point

-

194 (2)

-

194

-

193 to 195

°C

Melting Point

-

176 (4)

-

177

-

158 to 191

°C

Boiling Point

-

347 (5)

-

359

-

306 to 383

°C

Thermal Conductivity

-

173 (1)

- - - -

mW/(m*K)

Vapor Pressure

-

1.89e-06 (4)

-

1.88e-06

-

3.63e-09 to 3.81e-06

mmHg

Viscosity

-

13.4 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.32 (1)

- - - - -

Henry's Law

-

3.25e-09 (1)

- - - -

atm-m3/mole

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

2.86 (5)

3.02

1.82 to 4.40

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.02

Not Available

Not Available

NICEATM

1.82

Not Available

Available

ACD/Labs Consensus

3.16

Not Available

Not Available

ACD/Labs

4.40

Not Available

Not Available

OPERA

1.92

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.07e-01 (4)

4.46e-03

1.77e-03 to 4.18e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.84e-03 mol/L

Not Available

Not Available

NICEATM

4.18e-01 mol/L

Not Available

Available

OPERA

1.77e-03 mol/L

OPERA Model Report

Available

TEST

7.08e-03 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.42 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.42 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

194 (2)

194

193 to 195

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

195 °C

Not Available

Not Available

TEST

193 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

176 (4)

177

158 to 191

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

158 °C

Not Available

Not Available

NICEATM

191 °C

Not Available

Available

OPERA

173 °C

OPERA Model Report

Available

TEST

182 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

347 (5)

359

306 to 383

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

383 °C

Not Available

Not Available

NICEATM

306 °C

Not Available

Available

ACD/Labs

375 °C

Not Available

Not Available

OPERA

314 °C

OPERA Model Report

Available

TEST

359 °C

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

173 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

173 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.89e-06 (4)

1.88e-06

3.63e-09 to 3.81e-06

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.15e-06 mmHg

Not Available

Available

ACD/Labs

3.81e-06 mmHg

Not Available

Not Available

OPERA

3.63e-09 mmHg

OPERA Model Report

Available

TEST

2.60e-06 mmHg

TEST Report

Not Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

13.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

13.4 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.32 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.32

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

3.25e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.25e-09 atm-m3/mole

OPERA Model Report

Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

173 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.08e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.40 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.21e-01 (1)

- - - -

days

Bioconcentration Factor

-

23.9 (3)

-

6.49

-

7.01e-01 to 64.4

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

173 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

173 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.08e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.08e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.40 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.40 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.21e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.21e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

23.9 (3)

6.49

7.01e-01 to 64.4

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

64.4

Not Available

Available

OPERA

6.49

OPERA Model Report

Available

TEST

7.01e-01

TEST Report

Not Available

Found 13 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2,4-Diacetylphloroglucinol
1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(ethan-1-one)
Ethanone, 1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis-
2161-86-6 Active CAS-RN
4-08-00-03374 Beilstein Registry Number
BRN 1881572
1,1'-(2,4,6-Trihydroxy-1,3-phenylene)bisethanone
UNII-8XV4YYO3WN FDA Registry Number
1,5-diacetyl-2,4,6-trihydroxybenzene
1-(3-acetyl-2,4,6-trihydroxyphenyl)ethanone
2,4,6-trihydroxy-1,3-diacetylbenzene
5-acetyl-2,4,6-trihydroxyacetophenone
diacetylphloroglucinol
Imgnotfound
Imgnotfound
Imgnotfound
Imgnotfound

National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Exposure Predictions

There is no exposure data available.

Imgnotfound

PubChem Articles

Select Term:

AND

AND

Edit the Query Before Querying ()

You have hit the max of 255 characters for this query.

PubChem Patents

Loading Image

Searched with a similarity threshold of 0.8

Executive Summary

Imgnotfound