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Glyoxal
107-22-2 | DTXSID5025364

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID5025364'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C2H2O2

Average Mass: 58.036 g/mol

Monoisotopic Mass: 58.005479 g/mol

Structural Identifiers

IUPAC Name: Oxaldehyde

SMILES: O=CC=O

InChI String: InChI=1S/C2H2O2/c3-1-2-4/h1-2H

InChIKey: LEQAOMBKQFMDFZ-UHFFFAOYSA-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/DTXSID5025364 (accessed July 21, 2018), Glyoxal

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

-

-0.658 (5)

-

-0.506

-

-1.66 to -0.0757

-

Water Solubility

17.2 (1)

8.62 (3)

-

9.04

17.2

3.72 to 13.1

mol/L

Density

-

1.06 (2)

-

1.06

-

1.03 to 1.08

g/cm^3

Flash Point

-

21.9 (2)

-

21.9

-

-4.29 to 48.1

°C

Melting Point

3.40 (5)

-17.3 (4)

15.0

-8.78

-14.0 to 15.0

-66.7 to 15.2

°C

Boiling Point

77.4 (4)

63.8 (5)

77.5

51.4

50.4 to 104

48.2 to 97.9

°C

Surface Tension

-

29.3 (2)

-

29.3

-

28.2 to 30.3

dyn/cm

Thermal Conductivity

-

155 (1)

- - - -

mW/(m*K)

Vapor Pressure

255 (1)

171 (4)

-

132

255

128 to 292

mmHg

Viscosity

-

3.80e-01 (1)

- - - -

cP

LogKoa: Octanol-Air

-

2.26 (1)

- - - - -

Henry's Law

3.33e-09 (1)

1.54e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.34 (1)

- - - - -

Molar Refractivity

-

11.7 (1)

- - - -

cm^3

Molar Volume

-

56.2 (1)

- - - -

cm^3

Polarizability

-

4.63 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental - - -
Predicted

-0.658 (5)

-0.506

-1.66 to -0.0757

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-1.66

Not Available

Not Available

NICEATM

-0.378

Not Available

Available

ACD/Labs Consensus

-0.506

Not Available

Not Available

ACD/Labs

-0.671

Not Available

Not Available

OPERA

-0.0757

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

17.2 (1)

-

17.2

Predicted

8.62 (3)

9.04

3.72 to 13.1

Experimental

Source

Result

PhysPropNCCT

17.2 mol/L

Predicted

Source

Result

Calculation Details

QMRF

TEST

3.72 mol/L

Not Available

Not Available

NICEATM

9.04 mol/L

Not Available

Available

OPERA

13.1 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.06 (2)

1.06

1.03 to 1.08

Predicted

Source

Result

Calculation Details

QMRF

TEST

1.08 g/cm^3

TEST Report

Not Available

ACD/Labs

1.03 g/cm^3

Not Available

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

21.9 (2)

21.9

-4.29 to 48.1

Predicted

Source

Result

Calculation Details

QMRF

TEST

48.1 °C

Not Available

Not Available

ACD/Labs

-4.29 °C

Not Available

Not Available

Melting Point

Average

Median

Range

Experimental

3.40 (5)

15.0

-14.0 to 15.0

Predicted

-17.3 (4)

-8.78

-66.7 to 15.2

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

15.0 °C

Oxford University Chemical Safety Data (No longer updated)

15.0 °C

Alfa Aesar

-14.0 °C

Alfa Aesar

-14.0 °C

PhysPropNCCT

15.0 °C

Predicted

Source

Result

Calculation Details

QMRF

TEST

1.81 °C

Not Available

Not Available

EPISUITE

-66.7 °C

Not Available

Not Available

NICEATM

-19.4 °C

Not Available

Available

OPERA

15.2 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

77.4 (4)

77.5

50.4 to 104

Predicted

63.8 (5)

51.4

48.2 to 97.9

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

51.0 °C

Alfa Aesar

104 °C

Alfa Aesar

104 °C

PhysPropNCCT

50.4 °C

Predicted

Source

Result

Calculation Details

QMRF

TEST

71.8 °C

TEST Report

Not Available

EPISUITE

97.9 °C

Not Available

Not Available

NICEATM

51.4 °C

Not Available

Available

ACD/Labs

50.0 °C

Not Available

Not Available

OPERA

48.2 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

29.3 (2)

29.3

28.2 to 30.3

Predicted

Source

Result

Calculation Details

QMRF

TEST

30.3 dyn/cm

Not Available

Not Available

ACD/Labs

28.2 dyn/cm

Not Available

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

155 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

155 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

255 (1)

-

255

Predicted

171 (4)

132

128 to 292

Experimental

Source

Result

PhysPropNCCT

255 mmHg

Predicted

Source

Result

Calculation Details

QMRF

TEST

132 mmHg

Not Available

Not Available

NICEATM

131 mmHg

Not Available

Available

ACD/Labs

292 mmHg

Not Available

Not Available

OPERA

128 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

3.80e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

3.80e-01 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

2.26 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.26

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

3.33e-09 (1)

-

-
Predicted

1.54e-08 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.33e-09 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.54e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.34 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.34

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

11.7 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

11.7 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

56.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

56.2 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

4.63 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

4.63 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

3.76 (2)

-

3.76

-

3.53e-01 to 7.17

L/kg

Atmos. Hydroxylation Rate

1.14e-11 (1)

1.14e-11 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

7.58 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.62e-01 (1)

- - - -

days

Bioaccumulation Factor

-

8.94e-01 (1)

- - - - -

Bioconcentration Factor

-

1.31 (5)

-

8.94e-01

-

5.87e-01 to 3.16

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

3.76 (2)

3.76

3.53e-01 to 7.17

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.53e-01 L/kg

Not Available

Not Available

OPERA

7.17 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

1.14e-11 (1)

-

-
Predicted

1.14e-11 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

1.14e-11 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.14e-11 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

7.58 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.58 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.62e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.62e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

8.94e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.94e-01

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.31 (5)

8.94e-01

5.87e-01 to 3.16

Predicted

Source

Result

Calculation Details

QMRF

TEST

0.61

Not Available

Not Available

EPISUITE

8.94e-01

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

5.87e-01

Not Available

Available

OPERA

1.30

OPERA Model Report

Available

Found 35 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Glyoxal
Oxaldehyde
Ethanedial
107-22-2 Active CAS-RN
Ethanedial
4-01-00-03625 Beilstein Registry Number
1,2-Ethanedione
Aurarez 136
Biformal
Biformyl
Cartabond GH
Cartabond GHF
Daicel GY 60
Diformyl
Ethanedione
glioxal
Glyfix CS 50
Glyoxal 40L
Glyoxal aldehyde
Glyoxal T 40
Glyoxazal
Glyoxazal GX
Glyoxylaldehyde
Gohsezal P
Oxalaldehyde
Permafresh 114
Protorez BLF-C
Aerotex glyoxal 40
BRN 1732463
EINECS 203-474-9
UNII-50NP6JJ975 FDA Registry Number
Diformal
ethane-1,2-dial
oxal
83513-30-8 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

2315th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

2.86e-07

3.19e-05

Ages 12-19

3.49e-07

3.41e-05

Ages 20-65

2.49e-07

3.84e-05

Ages 65+

2.30e-07

3.60e-05

BMI > 30

2.34e-07

2.42e-05

BMI < 30

2.51e-07

2.60e-05

Repro. Age Females

3.14e-07

3.81e-05

Females

1.97e-07

2.63e-05

Males

1.64e-07

1.61e-05

Total

2.77e-07

4.92e-05

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