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Ethanol
64-17-5 | DTXSID9020584

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

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Wikipedia
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Intrinsic Properties

Molecular Formula: C2H6O

Average Mass: 46.069 g/mol

Monoisotopic Mass: 46.041865 g/mol

Structural Identifiers

IUPAC Name: Ethanol

InChI String: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3

InChIKey: LFQSCWFLJHTTHZ-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/DTXSID9020584 (accessed July 20, 2018), Ethanol

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

-0.310 (2)

-0.204 (5)

-0.310

-0.190

-0.310

-0.277 to -0.140

-

Water Solubility

21.7 (1)

15.6 (4)

-

16.9

21.7

6.52 to 22.2

mol/L

Density

-

8.46e-01 (2)

-

8.46e-01

-

0.78 to 9.12e-01

g/cm^3

Flash Point

-

9.86 (2)

-

9.86

-

8.89 to 10.8

°C

Melting Point

-116 (12)

-88.3 (4)

-114

-87.1

-144 to -90.0

-110 to -69.5

°C

Boiling Point

78.4 (7)

68.9 (5)

78.0

68.1

78.0 to 80.0

58.9 to 79.6

°C

Surface Tension

-

23.2 (2)

-

23.2

-

22.4 to 24.1

dyn/cm

Thermal Conductivity

-

182 (1)

- - - -

mW/(m*K)

Vapor Pressure

59.3 (1)

65.0 (4)

-

59.1

59.3

31.6 to 110

mmHg

Viscosity

-

1.53 (1)

- - - -

cP

LogKoa: Octanol-Air

3.25 (1)

3.05 (1)

- - - - -

Henry's Law

5.00e-06 (1)

5.58e-06 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.35 (1)

- - - - -

Molar Refractivity

-

12.9 (1)

- - - -

cm^3

Molar Volume

-

59.1 (1)

- - - -

cm^3

Polarizability

-

5.09 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-0.310 (2)

-0.310

-0.310

Predicted

-0.204 (5)

-0.190

-0.277 to -0.140

Experimental

Source

Result

Egon Willighagen

-0.310

PhysPropNCCT

-0.310

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.140

Not Available

Not Available

NICEATM

-0.190

Not Available

Available

ACD/Labs Consensus

-0.227

Not Available

Not Available

ACD/Labs

-0.187

Not Available

Not Available

OPERA

-0.277

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

21.7 (1)

-

21.7

Predicted

15.6 (4)

16.9

6.52 to 22.2

Experimental

Source

Result

PhysPropNCCT

21.7 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

17.2 mol/L

Not Available

Not Available

NICEATM

22.2 mol/L

Not Available

Available

TEST

6.52 mol/L

TEST Report

Not Available

OPERA

16.5 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

8.46e-01 (2)

8.46e-01

0.78 to 9.12e-01

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

0.78 g/cm^3

Not Available

Not Available

TEST

9.12e-01 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

9.86 (2)

9.86

8.89 to 10.8

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

8.89 °C

Not Available

Not Available

TEST

10.8 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

-116 (12)

-114

-144 to -90.0

Predicted

-88.3 (4)

-87.1

-110 to -69.5

Boiling Point

Average

Median

Range

Experimental

78.4 (7)

78.0

78.0 to 80.0

Predicted

68.9 (5)

68.1

58.9 to 79.6

Experimental

Source

Result

Oxford University Chemical Safety Data (No longer updated)

78.0 °C

NIOSH

78.3 °C

Alfa Aesar

78.0 °C

Alfa Aesar

80.0 °C

Alfa Aesar

78.0 °C

Food and Agriculture Organization of the United Nations

78.0 °C

PhysPropNCCT

78.2 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

65.1 °C

Not Available

Not Available

NICEATM

58.9 °C

Not Available

Available

ACD/Labs

72.6 °C

Not Available

Not Available

TEST

68.1 °C

TEST Report

Not Available

OPERA

79.6 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

23.2 (2)

23.2

22.4 to 24.1

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

22.4 dyn/cm

Not Available

Not Available

TEST

24.1 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

182 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

182 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

59.3 (1)

-

59.3

Predicted

65.0 (4)

59.1

31.6 to 110

Experimental

Source

Result

PhysPropNCCT

59.3 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

110 mmHg

Not Available

Available

ACD/Labs

82.8 mmHg

Not Available

Not Available

TEST

31.6 mmHg

TEST Report

Not Available

OPERA

35.3 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

1.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

1.53 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental

3.25 (1)

-

-
Predicted

3.05 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.25

Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.05

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental

5.00e-06 (1)

-

-
Predicted

5.58e-06 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

5.00e-06 atm-m3/mole

Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.58e-06 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.35 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.35

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

12.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

12.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

59.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

59.1 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

5.09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

5.09 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

1.58 (1)

2.22 (2)

-

2.22

1.58

2.20 to 2.25

L/kg

Atmos. Hydroxylation Rate

3.27e-12 (1)

3.86e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

4.59 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.11e-01 (1)

- - - -

days

Bioaccumulation Factor

-

9.21e-01 (1)

- - - - -

Bioconcentration Factor

-

1.62 (5)

-

1.26

-

9.21e-01 to 3.16

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

1.58 (1)

-

1.58

Predicted

2.22 (2)

2.22

2.20 to 2.25

Experimental

Source

Result

PhysPropNCCT

1.58 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.20 L/kg

Not Available

Not Available

OPERA

2.25 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental

3.27e-12 (1)

-

-
Predicted

3.86e-12 (1)

-

-
Experimental

Source

Result

PhysPropNCCT

3.27e-12 cm3/molecule*sec

Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.86e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

4.59 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

4.59 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.11e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.11e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

9.21e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.21e-01

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.62 (5)

1.26

9.21e-01 to 3.16

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

9.21e-01

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

9.57e-01

Not Available

Available

TEST

1.26

TEST Report

Not Available

OPERA

1.81

OPERA Model Report

Available

Found 119 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Ethanol
64-17-5 Active CAS-RN
Ethyl alcohol
EtOH
AETHANOL
Alcare Hand Degermer
Alcohol
Alcohol anhydrous
Algrain
Anhydrol
Anhydrol PM 4085
Denatured alcohol
Denatured ethanol
Denatured ethyl alcohol
Desinfektol EL
Duplicating Fluid 100C.NPA
Esumiru WK 88
Ethicap
Ethyl hydrate
Ethyl hydroxide
Hinetoless
Infinity Pure
Jaysol S
Methylcarbinol
Molasses alcohol
NSC 85228
Potato alcohol
Sekundasprit
Sterillium Rub
SY Fresh M
Synasol
Tecsol C
UN 1170
UN1170
Vinic alcohol
Alcohol, anhydrous
Alcohol dehydrated
Alcohol, diluted
Alcohol, ethyl
Caswell No. 430
Denatured alcohol CD-10
Denatured alcohol CD-5
Denatured alcohol CD-5a
Denatured alcohol SD-1
Denatured alcohol SD-13a
Denatured alcohol SD-17
Denatured alcohol SD-23a
Denatured alcohol SD-28
Denatured alcohol SD-3a
Denatured alcohol SD-30
Denatured alcohol SD-39b
Denatured alcohol SD-39c
Denatured alcohol SD-40m
EINECS 200-578-6
EPA Pesticide Chemical Code 001501
Ethyl alcohol & water, 10%
Ethyl alcohol & water, 20%
Ethyl alcohol & water, 30%
Ethyl alcohol & water, 40%
Ethyl alcohol & water, 5%
Ethyl alcohol & water, 50%
Ethyl alcohol & water, 60%
Ethyl alcohol & water, 70%
Ethyl alcohol & water, 80%
Ethyl alcohol & water, 95%
Ethyl alcohol & water, 96%
FEMA No. 2419
FEMA Number 2419
1-Hydroxyethane
NCI-C03134
SD Alchol 23-hydrogen
Alcohol 5% in dextrose 5%
Etanolo
Ethylalcohol
Etylowy alkohol
UNII-3K9958V90M FDA Registry Number
Absolute alcohol
Absolute ethanol
Absolute ethyl alcohol
Aethylalkohol
Alcohols
Alcool etilico
Alkohol
Alkoholu etylowego
Anhydrous alcohol
C2H5OH
Cologne spirit
Cologne spirits
Dehydrated alcohol
Diluted Alcohol
Distilled spirits
Ethanol 200 proof
Ethanol solution
Ethyl alc
Ethyl alcohol anhydrous
Ethyl alcohol in alcoholic beverages
Ethyl alcohol usp
Fermentation alcohol
Grain alcohol
Infinity Pure
Jaysol
Lux
Punctilious ethyl alcohol
Pyro
Silent spirit
Spirit
Spirits of wine
Spirt
Tecsol
Thanol
Undenatured Ethanol
alcohol etilico
alcool ethylique
etanol
hydroxyethane
spiritus vini
121182-78-3 Deleted CAS-RN
8000-16-6 Deleted CAS-RN
8024-45-1 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

170th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

7.05e-05

5.45e-03

Ages 12-19

3.77e-05

3.63e-03

Ages 20-65

3.88e-05

2.94e-03

Ages 65+

2.94e-05

2.71e-03

BMI > 30

3.69e-05

2.97e-03

BMI < 30

3.53e-05

2.47e-03

Repro. Age Females

3.78e-05

4.30e-03

Females

3.17e-05

3.24e-03

Males

4.23e-05

3.54e-03

Total

4.00e-05

3.33e-03

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Executive Summary

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