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Ethylene glycol
107-21-1 | DTXSID8020597

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID8020597'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C2H6O2

Average Mass: 62.068 g/mol

Monoisotopic Mass: 62.036779 g/mol

Structural Identifiers

IUPAC Name: Ethane-1,2-diol

InChI String: InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

InChIKey: LYCAIKOWRPUZTN-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/DTXSID8020597 (accessed May 21, 2018), Ethylene glycol

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

-1.36 (1)

-1.36 (5)

-

-1.31

-1.36

-1.69 to -1.20

-

Water Solubility

16.1 (1)

17.9 (3)

-

12.9

16.1

10.2 to 30.5

mol/L

Density

-

1.06 (2)

-

1.06

-

1.03 to 1.10

g/cm^3

Flash Point

-

85.8 (2)

-

85.8

-

63.3 to 108

°C

Melting Point

-13.0 (6)

-15.0 (4)

-13.0

-12.7

-13.0 to -12.8

-31.6 to -2.85

°C

Boiling Point

197 (5)

179 (5)

197

196

197 to 198

147 to 198

°C

Surface Tension

-

38.2 (2)

-

38.2

-

33.0 to 43.4

dyn/cm

Thermal Conductivity

-

201 (1)

- - - -

mW/(m*K)

Vapor Pressure

9.20e-02 (1)

2.18e-01 (4)

-

1.44e-01

9.20e-02

4.90e-02 to 5.36e-01

mmHg

Viscosity

-

7.91 (1)

- - - -

cP

LogKoa: Octanol-Air

-

6.65 (1)

- - - - -

Henry's Law

6.00e-08 (1)

5.92e-08 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.42 (1)

- - - - -

Molar Refractivity

-

14.4 (1)

- - - -

cm^3

Molar Volume

-

56.6 (1)

- - - -

cm^3

Polarizability

-

5.70 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-1.36 (1)

-

-1.36

Predicted

-1.36 (5)

-1.31

-1.69 to -1.20

Experimental

Source

Result

PhysPropNCCT

-1.36

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-1.20

Not Available

Not Available

NICEATM

-1.31

Not Available

Available

ACD/Labs Consensus

-1.25

Not Available

Not Available

ACD/Labs

-1.69

Not Available

Not Available

OPERA

-1.33

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

16.1 (1)

-

16.1

Predicted

17.9 (3)

12.9

10.2 to 30.5

Experimental

Source

Result

PhysPropNCCT

16.1 mol/L

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

30.5 mol/L

Not Available

Available

TEST

10.2 mol/L

TEST Report

Not Available

OPERA

12.9 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.06 (2)

1.06

1.03 to 1.10

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.10 g/cm^3

Not Available

Not Available

TEST

1.03 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

85.8 (2)

85.8

63.3 to 108

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

108 °C

Not Available

Not Available

TEST

63.3 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-13.0 (6)

-13.0

-13.0 to -12.8

Predicted

-15.0 (4)

-12.7

-31.6 to -2.85

Experimental

Source

Result

NIOSH

-12.8 °C

Jean-Claude Bradley Open Melting Point Dataset

-13.0 °C

Oxford University Chemical Safety Data (No longer updated)

-13.0 °C

Alfa Aesar

-13.0 °C

Alfa Aesar

-13.0 °C

PhysPropNCCT

-13.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-31.6 °C

Not Available

Not Available

NICEATM

-11.2 °C

Not Available

Available

TEST

-2.85 °C

TEST Report

Not Available

OPERA

-14.1 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

197 (5)

197

197 to 198

Predicted

179 (5)

196

147 to 198

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

197 °C

NIOSH

198 °C

Alfa Aesar

197 °C

Alfa Aesar

197 °C

PhysPropNCCT

197 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

154 °C

Not Available

Not Available

NICEATM

196 °C

Not Available

Available

ACD/Labs

198 °C

Not Available

Not Available

TEST

147 °C

TEST Report

Not Available

OPERA

198 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

38.2 (2)

38.2

33.0 to 43.4

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

43.4 dyn/cm

Not Available

Not Available

TEST

33.0 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

201 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

201 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

9.20e-02 (1)

-

9.20e-02

Predicted

2.18e-01 (4)

1.44e-01

4.90e-02 to 5.36e-01

Experimental

Source

Result

PhysPropNCCT

9.20e-02 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

1.91e-01 mmHg

Not Available

Available

ACD/Labs

9.59e-02 mmHg

Not Available

Not Available

TEST

5.36e-01 mmHg

TEST Report

Not Available

OPERA

4.90e-02 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

7.91 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

7.91 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

6.65 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.65

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

6.00e-08 (1)

-

-
Predicted

5.92e-08 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

6.00e-08 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.92e-08 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.42 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.42

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

14.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

14.4 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

56.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

56.6 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

5.70 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

5.70 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

2.91 (2)

-

2.91

-

2.24e-01 to 5.61

L/kg

Atmos. Hydroxylation Rate

7.70e-12 (1)

8.71e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

7.57 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

7.68e-02 (1)

- - - -

days

Bioaccumulation Factor

-

8.94e-01 (1)

- - - - -

Bioconcentration Factor

-

1.73 (5)

-

8.94e-01

-

5.82e-01 to 3.25

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

2.91 (2)

2.91

2.24e-01 to 5.61

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.24e-01 L/kg

Not Available

Not Available

OPERA

5.61 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

7.70e-12 (1)

-

-
Predicted

8.71e-12 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

7.70e-12 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.71e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

7.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.57 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

7.68e-02 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.68e-02 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

1.73 (5)

8.94e-01

5.82e-01 to 3.25

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

8.94e-01

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

5.82e-01

Not Available

Available

TEST

7.41e-01

TEST Report

Not Available

OPERA

3.25

OPERA Model Report

Available

Found 38 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Ethylene glycol
Ethane-1,2-diol
1,2-Ethanediol
107-21-1 Active CAS-RN
1,2-Ethanediol
Antifreeze
1,2-Dihydroxyethane
1,2-Ethane Diol
1,2-Ethylene glycol
2-Hydroxyethanol
AETHYLENGLYKOL
DIHYDROXY ETHANE, 1,2-(FIBER GRADE)
Dowtherm SR 1
etano-1,2-diol
Ethan-1,2-diol
Ethane-1,2-diol
Ethylene alcohol
Ethylene dihydrate
ETHYLENE GLYCOL, MONO
ETHYLENEGLYCOL
Glycol alcohol
Glysil GS
Macrogol 400 BPC
MONOETHYLENE GLYCOL
Norkool
NSC 93876
POLYESTER OF 1,2-ETHANEDIOL
Union Carbide XL 54 Type I De-icing Fluid
Caswell No. 441
EINECS 203-473-3
EPA Pesticide Chemical Code 042203
Glycol, ethylene-
NCI-C00920
UNII-FC72KVT52F FDA Registry Number
Ethanediol
37221-95-7 Deleted CAS-RN
71767-64-1 Deleted CAS-RN
1371582-33-0 Deleted CAS-RN
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Toxics Release Inventory


National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

121st highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

8.80e-05

7.38e-03

Ages 12-19

4.82e-05

3.59e-03

Ages 20-65

5.32e-05

4.01e-03

Ages 65+

3.96e-05

3.40e-03

BMI > 30

3.57e-05

4.35e-03

BMI < 30

4.84e-05

4.05e-03

Repro. Age Females

5.38e-05

4.24e-03

Females

3.72e-05

4.34e-03

Males

6.47e-05

4.63e-03

Total

5.12e-05

4.49e-03

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