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1,3-Dioxolane
646-06-0 | DTXSID4027284

Searched by Approved Name: Found 1 result for '1,3-Dioxolane'.

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Wikipedia
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Intrinsic Properties

Molecular Formula: C3H6O2

Average Mass: 74.079 g/mol

Monoisotopic Mass: 74.036779 g/mol

Structural Identifiers

IUPAC Name: 1,3-Dioxolane

SMILES: C1COCO1

InChI String: InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2

InChIKey: WNXJIVFYUVYPPR-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/DTXSID4027284 (accessed July 22, 2018), 1,3-Dioxolane

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

-0.370 (1)

-0.371 (5)

-

-0.310

-0.370

-0.725 to -0.175

-

Water Solubility

13.5 (1)

8.00 (4)

-

8.20

13.5

3.74 to 11.9

mol/L

Density

-

1.03 (2)

-

1.03

-

1.02 to 1.05

g/cm^3

Flash Point

-

1.45 (2)

-

1.45

-

1.23 to 1.67

°C

Melting Point

-95.0 (4)

-75.5 (4)

-95.0

-75.0

-95.0

-92.0 to -60.0

°C

Boiling Point

75.7 (3)

76.8 (5)

74.5

76.1

74.5 to 78.0

73.4 to 79.9

°C

Surface Tension

-

28.2 (2)

-

28.2

-

23.6 to 32.7

dyn/cm

Thermal Conductivity

-

147 (1)

- - - -

mW/(m*K)

Vapor Pressure

79.0 (1)

81.1 (4)

-

82.8

79.0

44.3 to 115

mmHg

Viscosity

-

5.86e-01 (1)

- - - -

cP

LogKoa: Octanol-Air

-

2.70 (1)

- - - - -

Henry's Law

2.45e-05 (1)

4.01e-05 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.40 (1)

- - - - -

Molar Refractivity

-

17.0 (1)

- - - -

cm^3

Molar Volume

-

70.8 (1)

- - - -

cm^3

Polarizability

-

6.76 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-0.370 (1)

-

-0.370

Predicted

-0.371 (5)

-0.310

-0.725 to -0.175

Experimental

Source

Result

PhysPropNCCT

-0.370

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.310

Not Available

Not Available

NICEATM

-0.271

Not Available

Available

ACD/Labs Consensus

-0.175

Not Available

Not Available

ACD/Labs

-0.725

Not Available

Not Available

OPERA

-0.373

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

13.5 (1)

-

13.5

Predicted

8.00 (4)

8.20

3.74 to 11.9

Experimental

Source

Result

PhysPropNCCT

13.5 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

3.74 mol/L

Not Available

Not Available

NICEATM

11.3 mol/L

Not Available

Available

TEST

5.11 mol/L

TEST Report

Not Available

OPERA

11.9 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.03 (2)

1.03

1.02 to 1.05

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.05 g/cm^3

Not Available

Not Available

TEST

1.02 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

1.45 (2)

1.45

1.23 to 1.67

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.67 °C

Not Available

Not Available

TEST

1.23 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-95.0 (4)

-95.0

-95.0

Predicted

-75.5 (4)

-75.0

-92.0 to -60.0

Experimental

Source

Result

Jean-Claude Bradley Open Melting Point Dataset

-95.0 °C

Alfa Aesar

-95.0 °C

Alfa Aesar

-95.0 °C

PhysPropNCCT

-95.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-75.3 °C

Not Available

Not Available

NICEATM

-74.8 °C

Not Available

Available

TEST

-60.0 °C

TEST Report

Not Available

OPERA

-92.0 °C

OPERA Model Report

Available

Boiling Point

Average

Median

Range

Experimental

75.7 (3)

74.5

74.5 to 78.0

Predicted

76.8 (5)

76.1

73.4 to 79.9

Experimental

Source

Result

Alfa Aesar

74.5 °C

Alfa Aesar

74.5 °C

PhysPropNCCT

78.0 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

76.1 °C

Not Available

Not Available

NICEATM

79.0 °C

Not Available

Available

ACD/Labs

75.6 °C

Not Available

Not Available

TEST

73.4 °C

TEST Report

Not Available

OPERA

79.9 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

28.2 (2)

28.2

23.6 to 32.7

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

32.7 dyn/cm

Not Available

Not Available

TEST

23.6 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

147 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

147 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

79.0 (1)

-

79.0

Predicted

81.1 (4)

82.8

44.3 to 115

Experimental

Source

Result

PhysPropNCCT

79.0 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

44.3 mmHg

Not Available

Available

ACD/Labs

115 mmHg

Not Available

Not Available

TEST

99.8 mmHg

TEST Report

Not Available

OPERA

65.9 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

5.86e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

5.86e-01 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

2.70 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.70

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

2.45e-05 (1)

-

-
Predicted

4.01e-05 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

2.45e-05 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.01e-05 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.40 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.40

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

17.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

17.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

70.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

70.8 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

6.76 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

6.76 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

7.00 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

5.53e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

6.47 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.43e-01 (1)

- - - -

days

Bioconcentration Factor

-

7.04 (3)

-

1.35

-

1.16 to 18.6

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

7.00 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

7.00 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

5.53e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.53e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

6.47 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.47 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.43e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.43e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

7.04 (3)

1.35

1.16 to 18.6

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

18.6

Not Available

Available

TEST

1.35

TEST Report

Not Available

OPERA

1.16

OPERA Model Report

Available

Found 17 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
1,3-Dioxolane
646-06-0 Active CAS-RN
1, 3-Dioxolan
1,3-Dioxacyclopentane
1,3-Dioxolan
1,3-dioxolanne
1,3-dioxolano
1,3-Dioxole, dihydro-
DIOXOLANE
DIOXOLANE (1,3)
Ethylene glycol formal
Formal glycol
GLYCOL METHYLENE ETHER
Glycolformal
EINECS 211-463-5
Glycol formal
UNII-Y57RBG19JL FDA Registry Number
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

7294th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

4.31e-08

4.79e-06

Ages 12-19

3.50e-08

3.87e-06

Ages 20-65

2.01e-08

2.56e-06

Ages 65+

2.10e-08

3.39e-06

BMI > 30

2.00e-08

2.37e-06

BMI < 30

2.16e-08

2.22e-06

Repro. Age Females

2.37e-08

2.35e-06

Females

1.76e-08

2.28e-06

Males

1.82e-08

2.36e-06

Total

2.56e-08

3.80e-06

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Executive Summary

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