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Lactic acid
50-21-5 | DTXSID7023192

Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID7023192'.

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Intrinsic Properties

Molecular Formula: C3H6O3

Average Mass: 90.078 g/mol

Monoisotopic Mass: 90.031694 g/mol

Structural Identifiers

IUPAC Name: 2-Hydroxypropanoic acid

SMILES: CC(O)C(O)=O

InChI String: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)

InChIKey: JVTAAEKCZFNVCJ-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/DTXSID7023192 (accessed June 21, 2018), Lactic acid

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

-0.720 (1)

-0.678 (5)

-

-0.696

-0.720

-0.794 to -0.551

-

Water Solubility

11.1 (1)

16.7 (3)

-

5.71

11.1

3.13 to 41.2

mol/L

Density

-

1.24 (2)

-

1.24

-

1.20 to 1.28

g/cm^3

Flash Point

-

106 (2)

-

106

-

101 to 110

°C

Melting Point

30.9 (7)

44.2 (4)

18.0

49.4

16.8 to 53.0

22.7 to 55.2

°C

Boiling Point

122 (2)

214 (5)

122

209

122

199 to 233

°C

Surface Tension

-

39.6 (2)

-

39.6

-

29.4 to 49.8

dyn/cm

Thermal Conductivity

-

173 (1)

- - - -

mW/(m*K)

Vapor Pressure

8.13e-02 (1)

2.43e-02 (4)

-

2.10e-02

8.13e-02

2.04e-03 to 5.32e-02

mmHg

Viscosity

-

7.26 (1)

- - - -

cP

LogKoa: Octanol-Air

-

6.72 (1)

- - - - -

Henry's Law

-

9.01e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.45 (1)

- - - - -

Molar Refractivity

-

19.0 (1)

- - - -

cm^3

Molar Volume

-

70.6 (1)

- - - -

cm^3

Polarizability

-

7.53 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

-0.720 (1)

-

-0.720

Predicted

-0.678 (5)

-0.696

-0.794 to -0.551

Experimental

Source

Result

PhysPropNCCT

-0.720

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

-0.650

Not Available

Not Available

NICEATM

-0.696

Not Available

Available

ACD/Labs Consensus

-0.551

Not Available

Not Available

ACD/Labs

-0.698

Not Available

Not Available

OPERA

-0.794

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

11.1 (1)

-

11.1

Predicted

16.7 (3)

5.71

3.13 to 41.2

Experimental

Source

Result

PhysPropNCCT

11.1 mol/L

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

41.2 mol/L

Not Available

Available

OPERA

3.13 mol/L

OPERA Model Report

Available

TEST

5.71 mol/L

TEST Report

Not Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.24 (2)

1.24

1.20 to 1.28

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.28 g/cm^3

Not Available

Not Available

TEST

1.20 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

106 (2)

106

101 to 110

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

110 °C

Not Available

Not Available

TEST

101 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

30.9 (7)

18.0

16.8 to 53.0

Predicted

44.2 (4)

49.4

22.7 to 55.2

Boiling Point

Average

Median

Range

Experimental

122 (2)

122

122

Predicted

214 (5)

209

199 to 233

Experimental

Source

Result

Alfa Aesar

122 °C

Food and Agriculture Organization of the United Nations

122 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

204 °C

Not Available

Not Available

NICEATM

233 °C

Not Available

Available

ACD/Labs

228 °C

Not Available

Not Available

TEST

199 °C

TEST Report

Not Available

OPERA

209 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

39.6 (2)

39.6

29.4 to 49.8

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

49.8 dyn/cm

Not Available

Not Available

TEST

29.4 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

173 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

173 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

8.13e-02 (1)

-

8.13e-02

Predicted

2.43e-02 (4)

2.10e-02

2.04e-03 to 5.32e-02

Experimental

Source

Result

PhysPropNCCT

8.13e-02 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

2.04e-03 mmHg

Not Available

Available

ACD/Labs

1.50e-02 mmHg

Not Available

Not Available

TEST

2.70e-02 mmHg

TEST Report

Not Available

OPERA

5.32e-02 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

7.26 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

7.26 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

6.72 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

6.72

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

9.01e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

9.01e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.45 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.45

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

19.0 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

19.0 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

70.6 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

70.6 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

7.53 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

7.53 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

-

10.2 (1)

- - - -

L/kg

Atmos. Hydroxylation Rate

-

1.64e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

5.42 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

1.06e-01 (1)

- - - -

days

Bioconcentration Factor

-

1.67 (3)

-

4.13e-01

-

4.04e-01 to 4.19

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental - - -
Predicted

10.2 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

10.2 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

1.64e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.64e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

5.42 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

5.42 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

1.06e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

1.06e-01 days

OPERA Model Report

Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

1.67 (3)

4.13e-01

4.04e-01 to 4.19

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.13e-01

Not Available

Available

TEST

4.04e-01

TEST Report

Not Available

OPERA

4.19

OPERA Model Report

Available

Found 53 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
Lactic acid
2-Hydroxypropanoic acid
Propanoic acid, 2-hydroxy-
50-21-5 Active CAS-RN
Propanoic acid, 2-hydroxy-
DL-Lactic Acid
(+/-)-Lactic acid
2-Hydroxy-2-methylacetic acid
2-Hydroxypropanoic acid
2-Hydroxypropionic acid
Acide lactique
acido lactico
Chem-Cast
MILCHSAEURE
Milchsaure
Milk acid
NSC 367919
Propanoic acid,2-hydroxy-,(+-)-
Purac FCC 80
Purac FCC 88
Tonsillosan
α-Hydroxypropanoic acid
α-Hydroxypropionic acid
BRN 5238667
EINECS 200-018-0
EINECS 209-954-4
Ethylidenelactic acid
FEMA No. 2611
FEMA Number 2611
1-Hydroxyethanecarboxylic acid
alpha-Hydroxypropionic acid
Lactate
Lactic acid USP
Lactovagan
Ordinary lactic acid
Propionic acid, 2-hydroxy-
Racemic lactic acid
EPA Pesticide Chemical Code 128929
Acidum lacticum
Aethylidenmilchsaeure
(RS)-2-Hydroxypropionsaeure
DL-Milchsaeure
Kyselina 2-hydroxypropanova
Kyselina mlecna
UNII-3B8D35Y7S4 FDA Registry Number
Cheongin haejanghwan
Cheongin samrakhan
Cheongin haewoohwan
Lacticum acidum
849585-22-4 Alternate CAS-RN
152-36-3 Deleted CAS-RN
598-82-3 Deleted CAS-RN
1334714-39-4 Deleted CAS-RN
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National Health and Nutrition Examination Survey (NHANES) Inferences

There is no exposure monitoring data available.

Download as:

215th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

5.57e-05

3.91e-03

Ages 12-19

3.22e-05

1.94e-03

Ages 20-65

3.08e-05

2.17e-03

Ages 65+

2.70e-05

2.29e-03

BMI > 30

3.14e-05

1.73e-03

BMI < 30

3.80e-05

2.70e-03

Repro. Age Females

4.20e-05

2.81e-03

Females

3.76e-05

2.36e-03

Males

3.71e-05

2.08e-03

Total

3.17e-05

2.24e-03

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