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Sucralose
56038-13-2 | DTXSID1040245

Searched by Approved Name: Found 1 result for 'Sucralose'.

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Intrinsic Properties

Molecular Formula: C12H19Cl3O8

Average Mass: 397.63 g/mol

Monoisotopic Mass: 396.014551 g/mol

Structural Identifiers

IUPAC Name: 1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside

SMILES: OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl

InChI String: InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1

InChIKey: BAQAVOSOZGMPRM-QBMZZYIRSA-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/DTXSID1040245 (accessed April 26, 2018), Sucralose

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

-

-0.473 (5)

-

-0.674

-

-1.20 to 6.79e-01

-

Water Solubility

-

6.28e-02 (4)

-

4.27e-02

-

1.61e-02 to 1.50e-01

mol/L

Density

-

1.71 (2)

-

1.71

-

1.69 to 1.72

g/cm^3

Flash Point

-

341 (2)

-

341

-

323 to 359

°C

Melting Point

130 (1)

168 (4)

-

149

130

136 to 237

°C

Boiling Point

669 (1)

457 (5)

-

406

669

309 to 669

°C

Surface Tension

-

66.0 (2)

-

66.0

-

55.4 to 76.6

dyn/cm

Vapor Pressure

-

1.71e-09 (4)

-

3.01e-10

-

0.0 to 6.25e-09

mmHg

LogKoa: Octanol-Air

-

9.47 (1)

- - - - -

Henry's Law

-

1.88e-10 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.60 (1)

- - - - -

Molar Refractivity

-

80.8 (1)

- - - -

cm^3

Molar Volume

-

235 (1)

- - - -

cm^3

Polarizability

-

32.0 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.473 (5)

-0.674

-1.20 to 6.79e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-1.00

Not Available

Not Available

NICEATM

-1.20

Not Available

Available

ACD/Labs Consensus

-0.168

Not Available

Not Available

ACD/Labs

6.79e-01

Not Available

Not Available

OPERA

-0.674

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

6.28e-02 (4)

4.27e-02

1.61e-02 to 1.50e-01

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

5.72e-02 mol/L

Not Available

Not Available

NICEATM

1.61e-02 mol/L

Not Available

Available

OPERA

2.82e-02 mol/L

OPERA Model Report

Available

TEST

1.50e-01 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.71 (2)

1.71

1.69 to 1.72

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.69 g/cm^3

Not Available

Not Available

TEST

1.72 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

341 (2)

341

323 to 359

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

359 °C

Not Available

Not Available

TEST

323 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

130 (1)

-

130

Predicted

168 (4)

149

136 to 237

Experimental

Source

Result

PhysPropNCCT

130 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

237 °C

Not Available

Not Available

NICEATM

149 °C

Not Available

Available

OPERA

136 °C

OPERA Model Report

Available

TEST

149 °C

TEST Report

Not Available

Boiling Point

Average

Median

Range

Experimental

669 (1)

-

669

Predicted

457 (5)

406

309 to 669

Experimental

Source

Result

Biosynth

669 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

552 °C

Not Available

Not Available

NICEATM

309 °C

Not Available

Available

ACD/Labs

669 °C

Not Available

Not Available

OPERA

351 °C

OPERA Model Report

Available

TEST

406 °C

TEST Report

Not Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

66.0 (2)

66.0

55.4 to 76.6

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

76.6 dyn/cm

Not Available

Not Available

TEST

55.4 dyn/cm

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.71e-09 (4)

3.01e-10

0.0 to 6.25e-09

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

6.73e-15 mmHg

Not Available

Available

ACD/Labs

0.0 mmHg

Not Available

Not Available

OPERA

6.25e-09 mmHg

OPERA Model Report

Available

TEST

6.01e-10 mmHg

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

9.47 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.47

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

1.88e-10 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.88e-10 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

80.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

80.8 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

235 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

235 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

32.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

32.0 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

27.9 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.65e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.35 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.42e-01 (1)

- - - -

days

Bioconcentration Factor

-

9.92 (3)

-

1.17

-

2.80e-01 to 28.3

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

27.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

27.9 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.65e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.65e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.35 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.35 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.42e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.42e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

9.92 (3)

1.17

2.80e-01 to 28.3

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

28.3

Not Available

Available

OPERA

1.17

OPERA Model Report

Available

TEST

2.80e-01

TEST Report

Not Available

Found 24 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Sucralose
1,6-Dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-alpha-D-galactopyranoside
alpha-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl 4-chloro-4-deoxy-
56038-13-2 Active CAS-RN
trichlorosucrose
α-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-
1',4,6'-Trichloro-galacto-sucrose
1,6-Dichlor-1,6-didesoxy-β-D-fructofuranosyl-4-chlor-4-desoxy-α-D-galaktose
1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-galactose
1,6-Dichloro-1,6-dideoxy-β-D-fructofuranosyl-4-chloro-4-deoxy-α-D-galactose
4,1',6'-Trichloro-4,1',6'-trideoxygalactosucrose
4-chloro-4-desoxy-α-D-galactose de 1,6-dichloro-1,6-didesoxy-β-D-fructofurannosyle
4-cloro-4-desoxi-α-D-galactosa de 1,6-dicloro-1,6-didesoxi-β-D-fructofuranosilo
Acucar Light
Aspasvit
Sansweet SU 100
α-D-Galactopyranoside, 1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl-4-chloro-4-deoxy-
BRN 3654410
EINECS 259-952-2
4,1',6'-Trichloro-4,1',6'-trideoxy-galacto-sucrose
Splenda
Trichlorogalacto-sucrose
Trichlorogalactosucrose
UNII-96K6UQ3ZD4 FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

2105th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

4.92e-07

3.44e-05

Ages 12-19

3.92e-07

1.89e-05

Ages 20-65

2.81e-07

2.55e-05

Ages 65+

2.49e-07

1.61e-05

BMI > 30

2.47e-07

1.77e-05

BMI < 30

2.90e-07

1.90e-05

Repro. Age Females

2.97e-07

2.03e-05

Females

2.65e-07

2.10e-05

Males

2.50e-07

1.58e-05

Total

2.92e-07

1.93e-05

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