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FD&C Red 4
4548-53-2 | DTXSID2021234

Searched by CAS-RN: Found 1 result for '4548-53-2'.

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Intrinsic Properties

Molecular Formula: C18H14N2Na2O7S2

Average Mass: 480.42 g/mol

Monoisotopic Mass: 480.003782 g/mol

Structural Identifiers

IUPAC Name: Disodium 3-[(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate

SMILES: [Na+].[Na+].CC1=CC(C)=C(C=C1N=NC1=CC(=C2C=CC=CC2=C1O)S([O-])(=O)=O)S([O-])(=O)=O

InChI String: InChI=1S/C18H16N2O7S2.2Na/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2

InChIKey: ONTQJDKFANPPKK-UHFFFAOYSA-L

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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/DTXSID2021234 (accessed April 25, 2018), FD&C Red 4

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

dye; parent [14918-59-3]

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

LogP: Octanol-Water

-

1.03 (4)

-

9.74e-01

-

4.39e-01 to 1.73

-

Water Solubility

-

1.71e-01 (3)

-

3.47e-04

-

2.95e-05 to 5.12e-01

mol/L

Density

-

1.63 (2)

-

1.63

-

1.58 to 1.69

g/cm^3

Melting Point

-

235 (3)

-

231

-

215 to 259

°C

Boiling Point

-

320 (2)

-

320

-

296 to 343

°C

Surface Tension

-

65.9 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.96e-10 (2)

-

1.96e-10

-

5.15e-15 to 3.92e-10

mmHg

LogKoa: Octanol-Air

-

9.36 (1)

- - - - -

Henry's Law

-

1.38e-11 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.69 (1)

- - - - -

Molar Refractivity

-

106 (1)

- - - -

cm^3

Molar Volume

-

277 (1)

- - - -

cm^3

Polarizability

-

41.9 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

1.03 (4)

9.74e-01

4.39e-01 to 1.73

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

8.93e-01

Not Available

Available

ACD/Labs Consensus

4.39e-01

Not Available

Not Available

ACD/Labs

1.06

Not Available

Not Available

OPERA

1.73

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

1.71e-01 (3)

3.47e-04

2.95e-05 to 5.12e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.95e-05 mol/L

Not Available

Available

TEST

3.47e-04 mol/L

TEST Report

Not Available

OPERA

5.12e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.63 (2)

1.63

1.58 to 1.69

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.58 g/cm^3

Not Available

Not Available

TEST

1.69 g/cm^3

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental - - -
Predicted

235 (3)

231

215 to 259

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

215 °C

Not Available

Available

TEST

259 °C

TEST Report

Not Available

OPERA

231 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

320 (2)

320

296 to 343

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

343 °C

Not Available

Available

OPERA

296 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

65.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

65.9 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.96e-10 (2)

1.96e-10

5.15e-15 to 3.92e-10

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

5.15e-15 mmHg

Not Available

Available

OPERA

3.92e-10 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.36 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.36

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.38e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.38e-11 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.69 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.69

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

277 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

277 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

41.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

41.9 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

39.7 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.84e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.36 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.83e-01 (1)

- - - -

days

Bioconcentration Factor

-

33.2 (3)

-

3.65

-

2.40 to 93.6

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

39.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

39.7 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.84e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.84e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.36 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.36 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.83e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.83e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

33.2 (3)

3.65

2.40 to 93.6

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

93.6

Not Available

Available

TEST

3.65

TEST Report

Not Available

OPERA

2.40

OPERA Model Report

Available

Found 50 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
FD&C Red 4
Disodium 3-[(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate
1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)
4548-53-2 Active CAS-RN
C.I. Food Red 1
Ponceau SX
1-Naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt
1-NAPHTHALENESULFONIC ACID, 3-[(2,4-DIMETHYL-5- SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM SALT
1-Naphthalenesulfonic acid, 3-[2-(2,4-dimethyl-5-sulfophenyl)diazenyl]-4-hydroxy-, sodium salt (1:2)
1-Napthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt
3-[(2,4-Dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphtalene-1-sulfonate de disodium
3-[(2,4-Dimethyl-5-sulfophenyl)azo]-4-hydroxy-1-naphthalene sufonic acid, disodium salt
3-[(2,4-dimetil-5-sulfonatofenil)azo]-4-hidroxinaftaleno-1-sulfonato de disodio
C.I. Food Red 1, disodium salt
C.I. FOOD RED 1, NAPHTHALENE-1-SULFONATE, 3-[(2,4-DIMETHYL-5-SULFOPHENYL)AZO]-4-HYDROXY-, DISODIUM
Certicol Ponceau SXS
D and C Red No. 4
Dinatrium-3-[(2,4-dimethyl-5-sulfonatophenyl)azo]-4-hydroxynaphthalin-1-sulfonat
DISODIUM 3-[(2,4-DIMETHYL-5-SULFONATOPHENYL)AZO]-4HYDROXYNAPHTHALENE-1-SULFONATE
disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate
Edicol Supra Ponceau SX
FD & C RED NO.4
FD AND C RED NO. 4
FD&C Red No. 4
Hexacol Ponceau SX
Red No. 504
Usacert Red No. 4
D&C Red No. 4
3-((2,4-Dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonic acid, disodium salt
3-((2,4-Dimethyl-5-sulphophenyl)azo)-4-hydroxy-1-naphthalenesulphonic acid, disodium salt
Disodium 3-((2,4-dimethyl-5-sulfophenyl)azo)-4-hydroxy-1-naphthalenesulfonate
Disodium 2-(5-sulfo-2,4-xylylazo)-1-naphthol-4-sulfonate
Dye FD & C Red No. 4
Dye FD and C Red No. 4
EINECS 224-909-9
Ext. D&C Red No. 24
FD & C Red No. 4
FD&C Red No. 4 - Aluminium Lake
4-Hydroxy-3-((5-sulfo-2,4-xylyl)azo)-1-naphthalenesulfonic acid, disodium salt
4-Hydroxy-3-((5-sulpho-2,4-xylyl)azo)-1-naphthalenesulphonic acid, disodium salt
Maple Ponceau SX
Ponceau SX Lake
Red Lake 89865N
Red shade #24
2-(6-Sulfo-2,4-xylylazo)-1-naphthol-4-sulfonic acid, disodium salt
2-(6-Sulpho-2,4-xylylazo)-1-naphthol-4-sulphonic acid, disodium salt
Usacert FD & C Red No. 4
Cerven potravinarska 1
UNII-X3W0AM1JLX FDA Registry Number
Food Read 1
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

526th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.66e-06

2.57e-04

Ages 12-19

2.87e-06

2.20e-04

Ages 20-65

3.21e-06

2.50e-04

Ages 65+

2.74e-06

2.06e-04

BMI > 30

2.54e-06

1.50e-04

BMI < 30

2.94e-06

2.40e-04

Repro. Age Females

4.08e-06

4.23e-04

Females

3.73e-06

3.39e-04

Males

1.90e-06

1.74e-04

Total

2.79e-06

2.30e-04

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