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Sodium L-ascorbate
134-03-2 | DTXSID0020105

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID0020105'.

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Intrinsic Properties

Molecular Formula: C6H7NaO6

Average Mass: 198.106 g/mol

Monoisotopic Mass: 198.014032 g/mol

Structural Identifiers

IUPAC Name: Sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate (non-preferred name)

SMILES: [Na+].OC[C@H](O)[C@H]1OC(=O)C(O)=C1[O-]

InChI String: InChI=1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5+;/m0./s1

InChIKey: PPASLZSBLFJQEF-RXSVEWSESA-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/DTXSID0020105 (accessed July 20, 2018), Sodium L-ascorbate

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

-

-2.86 (5)

-

-1.90

-

-6.40 to -1.73

-

Water Solubility

-

2.21 (3)

-

2.37

-

2.88e-01 to 3.98

mol/L

Density

-

1.83 (2)

-

1.83

-

1.70 to 1.95

g/cm^3

Flash Point

-

234 (2)

-

234

-

231 to 238

°C

Melting Point

220 (3)

188 (4)

220

165

220

151 to 270

°C

Boiling Point

-

430 (5)

-

365

-

296 to 623

°C

Surface Tension

-

141 (1)

- - - -

dyn/cm

Vapor Pressure

-

1.26e-07 (4)

-

2.50e-09

-

1.62e-14 to 4.98e-07

mmHg

Viscosity

-

9.98 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.18 (1)

- - - - -

Henry's Law

-

1.28e-11 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.71 (1)

- - - - -

Molar Refractivity

-

35.3 (1)

- - - -

cm^3

Molar Volume

-

90.1 (1)

- - - -

cm^3

Polarizability

-

14.0 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-2.86 (5)

-1.90

-6.40 to -1.73

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-6.40

Not Available

Not Available

NICEATM

-1.90

Not Available

Available

ACD/Labs Consensus

-1.89

Not Available

Not Available

ACD/Labs

-2.41

Not Available

Not Available

OPERA

-1.73

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental - - -
Predicted

2.21 (3)

2.37

2.88e-01 to 3.98

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

3.98 mol/L

Not Available

Available

TEST

2.37 mol/L

TEST Report

Not Available

OPERA

2.88e-01 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.83 (2)

1.83

1.70 to 1.95

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.95 g/cm^3

Not Available

Not Available

TEST

1.70 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

234 (2)

234

231 to 238

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

238 °C

Not Available

Not Available

TEST

231 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

220 (3)

220

220

Predicted

188 (4)

165

151 to 270

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

220 °C

Alfa Aesar

220 °C

Alfa Aesar

220 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

270 °C

Not Available

Not Available

NICEATM

151 °C

Not Available

Available

TEST

161 °C

TEST Report

Not Available

OPERA

169 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental - - -
Predicted

430 (5)

365

296 to 623

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

623 °C

Not Available

Not Available

NICEATM

296 °C

Not Available

Available

ACD/Labs

553 °C

Not Available

Not Available

TEST

365 °C

TEST Report

Not Available

OPERA

314 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

141 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

141 dyn/cm

Not Available

Not Available

Vapor Pressure

Average

Median

Range

Experimental - - -
Predicted

1.26e-07 (4)

2.50e-09

1.62e-14 to 4.98e-07

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.98e-07 mmHg

Not Available

Available

ACD/Labs

1.62e-14 mmHg

Not Available

Not Available

TEST

4.49e-09 mmHg

TEST Report

Not Available

OPERA

5.04e-10 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

9.98 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

9.98 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

1.28e-11 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.28e-11 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.71 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.71

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

35.3 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

35.3 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

90.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

90.1 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

14.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

14.0 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

304 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

8.25e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.54 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.09e-01 (1)

- - - -

days

Bioconcentration Factor

-

9.25e-01 (2)

-

9.25e-01

-

7.21e-02 to 1.78

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

304 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

304 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

8.25e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.25e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.54 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.54 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.09e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.09e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

9.25e-01 (2)

9.25e-01

7.21e-02 to 1.78

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

7.21e-02

Not Available

Available

OPERA

1.78

OPERA Model Report

Available

Found 40 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Sodium L-ascorbate
Sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate (non-preferred name)
134-03-2 Active CAS-RN
(+)-Sodium L-ascorbate (Sodium ascorbate) (l-Ascorbate, sodium)
L-Ascorbic acid, monosodium salt
3-Oxo-L-gulofuranolactone sodium
ASCORBATE (L-), SODIUM
Ascorbate de sodium
ascorbato sodico
ASCORBIC ACID SODIUM SALT
Ascorbic acid, sodium deriv.
Ascorbicin
Ascorbin
Cebitate
Cenolate
Iskia C
L-Ascorbic acid monosodium salt
L-Ascorbic acid sodium salt
L-Ascorbic acid, sodium salt (1:1)
Monosodium ascorbate
Monosodium L-ascorbate
Natrascorb
Natri-C
Natriumascorbat
Sodascorbate
Sodium (+)-L-ascorbate
sodium ascorbate
Vitamin C Na salt
Vitamin C sodium
Ascorbic acid sodium derivative
EINECS 205-126-1
Iskia-C
Sodium derivative of 3-oxo-L-gulofuranolactone
Natrii ascorbas
UNII-S033EH8359 FDA Registry Number
Vitamin C, sodium salt
1017795-34-4 Deleted CAS-RN
129940-98-3 Deleted CAS-RN
156683-68-0 Deleted CAS-RN
884311-57-3 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

2229th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.30e-07

3.03e-05

Ages 12-19

2.66e-07

3.40e-05

Ages 20-65

3.09e-07

4.25e-05

Ages 65+

2.51e-07

2.89e-05

BMI > 30

2.31e-07

2.18e-05

BMI < 30

2.84e-07

3.26e-05

Repro. Age Females

5.10e-07

9.40e-05

Females

3.37e-07

2.48e-05

Males

1.16e-07

1.56e-05

Total

2.84e-07

2.33e-05

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