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Sodium cyclamate
139-05-9 | DTXSID6020355

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID6020355'.

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Intrinsic Properties

Molecular Formula: C6H12NNaO3S

Average Mass: 201.22 g/mol

Monoisotopic Mass: 201.043559 g/mol

Structural Identifiers

IUPAC Name: Sodium cyclohexylsulfamate

SMILES: [Na+].[O-]S(=O)(=O)NC1CCCCC1

InChI String: InChI=1S/C6H13NO3S.Na/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1

InChIKey: UDIPTWFVPPPURJ-UHFFFAOYSA-M

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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/DTXSID6020355 (accessed July 16, 2018), Sodium cyclamate

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

-

-0.261 (5)

-

1.17e-01

-

-2.63 to 9.79e-01

-

Water Solubility

-

4.14e-01 (3)

-

2.59e-01

-

1.55e-01 to 8.29e-01

mol/L

Density

-

1.30 (2)

-

1.30

-

1.28 to 1.33

g/cm^3

Melting Point

300 (2)

176 (4)

300

162

300

152 to 228

°C

Boiling Point

-

353 (3)

-

266

-

260 to 534

°C

Surface Tension

-

52.2 (1)

- - - -

dyn/cm

Vapor Pressure

-

9.58e-06 (2)

-

9.58e-06

-

3.36e-06 to 1.58e-05

mmHg

LogKoa: Octanol-Air

-

7.80 (1)

- - - - -

Henry's Law

-

1.41e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.53 (1)

- - - - -

Molar Refractivity

-

41.8 (1)

- - - -

cm^3

Molar Volume

-

135 (1)

- - - -

cm^3

Polarizability

-

16.6 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.261 (5)

1.17e-01

-2.63 to 9.79e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-2.63

Not Available

Not Available

NICEATM

2.44e-01

Not Available

Available

ACD/Labs Consensus

-0.0150

Not Available

Not Available

ACD/Labs

9.79e-01

Not Available

Not Available

OPERA

1.17e-01

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

4.14e-01 (3)

2.59e-01

1.55e-01 to 8.29e-01

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.59e-01 mol/L

Not Available

Available

TEST

1.55e-01 mol/L

TEST Report

Not Available

OPERA

8.29e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.30 (2)

1.30

1.28 to 1.33

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.33 g/cm^3

Not Available

Not Available

TEST

1.28 g/cm^3

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

300 (2)

300

300

Predicted

176 (4)

162

152 to 228

Experimental

Source

Result

Alfa Aesar

300 °C

Alfa Aesar

300 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

228 °C

Not Available

Not Available

NICEATM

152 °C

Not Available

Available

TEST

168 °C

TEST Report

Not Available

OPERA

155 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

353 (3)

266

260 to 534

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

534 °C

Not Available

Not Available

NICEATM

266 °C

Not Available

Available

OPERA

260 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

52.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

52.2 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

9.58e-06 (2)

9.58e-06

3.36e-06 to 1.58e-05

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.58e-05 mmHg

Not Available

Available

OPERA

3.36e-06 mmHg

OPERA Model Report

Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

7.80 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.80

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.41e-08 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.41e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.53

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

41.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

41.8 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

135 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

135 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

16.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

16.6 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

86.2 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

5.07e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

7.71 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.13e-01 (1)

- - - -

days

Bioconcentration Factor

-

2.58 (3)

-

1.50

-

1.97e-02 to 6.21

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

86.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

86.2 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

5.07e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.07e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

7.71 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.71 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.13e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.13e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

2.58 (3)

1.50

1.97e-02 to 6.21

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.97e-02

Not Available

Available

TEST

1.50

TEST Report

Not Available

OPERA

6.21

OPERA Model Report

Available

Found 62 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Sodium cyclamate
Sodium cyclohexylsulfamate
Sulfamic acid, N-cyclohexyl-, sodium salt (1:1)
139-05-9 Active CAS-RN
Cyclamate, sodium
Sulfamic acid, cyclohexyl-, monosodium salt
Acofarinas
Assugrin
Asugryn
Azucrona
ciclamato sodico
Cyclamate de sodium
Cyclamate sodium
Cyclohexanesulfamic acid, monosodium salt
Cyclohexylsulfamate sodium
Cyclohexylsulfamic acid sodium salt
Dulzor-Etas
Duplo-Sacarin
Hachi-Sugar
Ibiosuc
Natreen
Natriumcyclamat
N-Cyclohexylsulfamic acid sodium salt
Sodium cyclohexanesulfamate
Sodium cyclohexylaminesulfonate
Sodium cyclohexylsulfamate
Sodium sucaryl
Sucaryl sodium
Suessette
Suestamin
Sugarin
Sugaron
Sulfamic acid, N-cyclohexyl-, sodium salt (1:1)
Assurgrin feinsuss
Assurgrin vollsuss
Cyclamate, sodium salt
Cyclamic acid sodium salt
Cyclohexanesulfamic acid, sodium salt
Cyclohexanesulphamic acid, monosodium salt
Cyclohexylsulfamic acid, sodium salt
Cyclohexylsulphamate sodium
Cyclohexylsulphamic acid, monosodium salt
EINECS 205-348-9
Monosodium cyclohexylsulfamate
Natrium cyclamicum
NSC 42195
Sodium cyclohexanesulphamate
Sodium cyclohexyl amidosulphate
Sodium cyclohexyl sulfamate
Sodium cyclohexyl sulphamate
Sodium N-cyclohexylsulfamate
Sodium cyclohexylsulphamidate
Sulfamic acid, cylclohexyl-, monosodium salt
Natraiumcyclohexylamidosulfat
Natrii cyclamas
Natriumcyclohexylamidosulfat
Natrium cyclohexylsulfamat
Natriumzyklamate
N-Cyklohexylsulfamat sodny
UNII-1I6F42RME1 FDA Registry Number
53170-91-5 Deleted CAS-RN
61373-78-2 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

320th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

1.98e-05

1.22e-03

Ages 12-19

1.50e-05

8.51e-04

Ages 20-65

1.65e-05

1.14e-03

Ages 65+

9.51e-06

5.87e-04

BMI > 30

1.35e-05

8.85e-04

BMI < 30

1.79e-05

9.85e-04

Repro. Age Females

3.40e-05

3.24e-03

Females

2.60e-05

1.49e-03

Males

1.11e-05

7.61e-04

Total

1.55e-05

1.04e-03

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Executive Summary

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