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2,4-Dichlorophenoxyacetic acid
94-75-7 | DTXSID0020442

Searched by Approved Name: Found 1 result for '2,4-Dichlorophenoxyacetic acid'.

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Intrinsic Properties

Molecular Formula: C8H6Cl2O3

Average Mass: 221.03 g/mol

Monoisotopic Mass: 219.969400 g/mol

Structural Identifiers

IUPAC Name: (2,4-Dichlorophenoxy)acetic acid

SMILES: OC(=O)COC1=C(Cl)C=C(Cl)C=C1

InChI String: InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)

InChIKey: OVSKIKFHRZPJSS-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/DTXSID0020442 (accessed April 24, 2018), 2,4-Dichlorophenoxyacetic 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

2.81 (1)

2.65 (5)

-

2.62

2.81

2.44 to 2.84

-

Water Solubility

3.06e-03 (1)

3.66e-03 (4)

-

2.30e-03

3.06e-03

1.52e-03 to 8.53e-03

mol/L

Density

-

1.48 (2)

-

1.48

-

1.47 to 1.49

g/cm^3

Flash Point

-

165 (2)

-

165

-

163 to 167

°C

Melting Point

139 (9)

130 (4)

138

132

137 to 141

109 to 147

°C

Boiling Point

222 (3)

320 (5)

160

313

160 to 345

300 to 346

°C

Surface Tension

-

48.2 (2)

-

48.2

-

45.2 to 51.3

dyn/cm

Thermal Conductivity

-

142 (1)

- - - -

mW/(m*K)

Vapor Pressure

8.25e-05 (1)

2.03e-05 (4)

-

1.70e-05

8.25e-05

5.25e-07 to 4.64e-05

mmHg

Viscosity

-

19.1 (1)

- - - -

cP

LogKoa: Octanol-Air

-

8.65 (1)

- - - - -

Henry's Law

-

2.97e-09 (1)

- - - -

atm-m3/mole

Index of Refraction

-

1.57 (1)

- - - - -

Molar Refractivity

-

48.9 (1)

- - - -

cm^3

Molar Volume

-

148 (1)

- - - -

cm^3

Polarizability

-

19.4 (1)

- - - -

Å^3

LogP: Octanol-Water

Average

Median

Range

Experimental

2.81 (1)

-

2.81

Predicted

2.65 (5)

2.62

2.44 to 2.84

Experimental

Source

Result

PhysPropNCCT

2.81

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

2.62

Not Available

Not Available

NICEATM

2.44

Not Available

Available

ACD/Labs Consensus

2.84

Not Available

Not Available

ACD/Labs

2.59

Not Available

Not Available

OPERA

2.76

OPERA Model Report

Available

Water Solubility

Average

Median

Range

Experimental

3.06e-03 (1)

-

3.06e-03

Predicted

3.66e-03 (4)

2.30e-03

1.52e-03 to 8.53e-03

Experimental

Source

Result

PhysPropNCCT

3.06e-03 mol/L

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

1.52e-03 mol/L

Not Available

Not Available

NICEATM

8.53e-03 mol/L

Not Available

Available

TEST

2.00e-03 mol/L

TEST Report

Not Available

OPERA

2.60e-03 mol/L

OPERA Model Report

Available

Density

Average

Median

Range

Experimental - - -
Predicted

1.48 (2)

1.48

1.47 to 1.49

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.49 g/cm^3

Not Available

Not Available

TEST

1.47 g/cm^3

TEST Report

Not Available

Flash Point

Average

Median

Range

Experimental - - -
Predicted

165 (2)

165

163 to 167

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

163 °C

Not Available

Not Available

TEST

167 °C

TEST Report

Not Available

Melting Point

Average

Median

Range

Experimental

139 (9)

138

137 to 141

Predicted

130 (4)

132

109 to 147

Boiling Point

Average

Median

Range

Experimental

222 (3)

160

160 to 345

Predicted

320 (5)

313

300 to 346

Experimental

Source

Result

Alfa Aesar

160 °C

Alfa Aesar

160 °C

Biosynth

345 °C

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

329 °C

Not Available

Not Available

NICEATM

313 °C

Not Available

Available

ACD/Labs

346 °C

Not Available

Not Available

TEST

311 °C

TEST Report

Not Available

OPERA

300 °C

OPERA Model Report

Available

Surface Tension

Average

Median

Range

Experimental - - -
Predicted

48.2 (2)

48.2

45.2 to 51.3

Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

51.3 dyn/cm

Not Available

Not Available

TEST

45.2 dyn/cm

TEST Report

Not Available

Thermal Conductivity

Average

Median

Range

Experimental - - -
Predicted

142 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

142 mW/(m*K)

TEST Report

Not Available

Vapor Pressure

Average

Median

Range

Experimental

8.25e-05 (1)

-

8.25e-05

Predicted

2.03e-05 (4)

1.70e-05

5.25e-07 to 4.64e-05

Experimental

Source

Result

PhysPropNCCT

8.25e-05 mmHg

Predicted

Source

Result

Calculation Details

QMRF

NICEATM

4.64e-05 mmHg

Not Available

Available

ACD/Labs

2.31e-05 mmHg

Not Available

Not Available

TEST

1.10e-05 mmHg

TEST Report

Not Available

OPERA

5.25e-07 mmHg

OPERA Model Report

Available

Viscosity

Average

Median

Range

Experimental - - -
Predicted

19.1 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

TEST

19.1 cP

TEST Report

Not Available

LogKoa: Octanol-Air

Average

Median

Range

Experimental - - -
Predicted

8.65 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.65

OPERA Model Report

Available

Henry's Law

Average

Median

Range

Experimental - - -
Predicted

2.97e-09 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.97e-09 atm-m3/mole

OPERA Model Report

Available

Index of Refraction

Average

Median

Range

Experimental - - -
Predicted

1.57 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

1.57

Not Available

Not Available

Molar Refractivity

Average

Median

Range

Experimental - - -
Predicted

48.9 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

48.9 cm^3

Not Available

Not Available

Molar Volume

Average

Median

Range

Experimental - - -
Predicted

148 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

148 cm^3

Not Available

Not Available

Polarizability

Average

Median

Range

Experimental - - -
Predicted

19.4 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

ACD/Labs

19.4 Å^3

Not Available

Not Available

Property

Average

Median

Range

Unit

Experimental

Predicted

Experimental

Predicted

Experimental

Predicted

Soil Adsorp. Coeff.

45.7 (1)

69.9 (2)

-

69.9

45.7

58.3 to 81.4

L/kg

Atmos. Hydroxylation Rate

-

8.51e-12 (1)

- - - -

cm3/molecule*sec

Biodeg. Half-Life

-

3.55 (1)

- - - -

days

Fish Biotrans. Half-Life (Km)

-

2.14e-01 (1)

- - - -

days

Bioaccumulation Factor

-

68.8 (1)

- - - - -

Bioconcentration Factor

-

71.3 (5)

-

4.61

-

3.16 to 277

-

Soil Adsorp. Coeff.

Average

Median

Range

Experimental

45.7 (1)

-

45.7

Predicted

69.9 (2)

69.9

58.3 to 81.4

Experimental

Source

Result

PhysPropNCCT

45.7 L/kg

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

58.3 L/kg

Not Available

Not Available

OPERA

81.4 L/kg

OPERA Model Report

Available

Atmos. Hydroxylation Rate

Average

Median

Range

Experimental - - -
Predicted

8.51e-12 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

8.51e-12 cm3/molecule*sec

OPERA Model Report

Available

Biodeg. Half-Life

Average

Median

Range

Experimental - - -
Predicted

3.55 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

3.55 days

OPERA Model Report

Available

Fish Biotrans. Half-Life (Km)

Average

Median

Range

Experimental - - -
Predicted

2.14e-01 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

OPERA

2.14e-01 days

OPERA Model Report

Available

Bioaccumulation Factor

Average

Median

Range

Experimental - - -
Predicted

68.8 (1)

-

-
Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

68.8

Not Available

Not Available

Bioconcentration Factor

Average

Median

Range

Experimental - - -
Predicted

71.3 (5)

4.61

3.16 to 277

Predicted

Source

Result

Calculation Details

QMRF

EPISUITE

68.6

Not Available

Not Available

EPISUITE

3.16

Not Available

Not Available

NICEATM

277

Not Available

Available

TEST

4.61

TEST Report

Not Available

OPERA

3.34

OPERA Model Report

Available

Found 181 synonyms

  • Legend:
  • Valid Synonyms
  • Good Synonyms
  • Other Synonyms
2,4-Dichlorophenoxyacetic acid
(2,4-Dichlorophenoxy)acetic acid
Acetic acid, 2-(2,4-dichlorophenoxy)-
94-75-7 Active CAS-RN
Acetic acid, (2,4-dichlorophenoxy)-
2,4-D
4-06-00-00908 Beilstein Registry Number
(2,4-Dichlorophenoxy)acetic acid
2,4-D [acetic acid, (2,4-dichlorophenoxy)-]
2,4-Dichlorophenoxyethanoic acid
Acetic acid, 2-(2,4-dichlorophenoxy)-
Acido 2,4 diclorofenoxiacetico
Aminopielik 50SL
Amoxone
Barrage HF
Basalcoat
B-Selektonon
Deherban
Desormone
Dezormon
Dichlorophenoxyacetic acid
Diclordon
Dicopur
Esterone
Fernimine
Hedonal
Huragan
Isadiamineyeom
Monosan herbi
Mota Maskros
Netagrone
NSC 190751
NSC 2925
PHENOXYACETIC ACID, 2,4-DICHLORO-
PHENOXYACETIC ACID, DICHLORO-
Tiller S
R-H Weed Rhap 20
Agricorn D
BRN 1214242
Brush-rhap
Caswell No. 315
Chipco turf herbicide "D"
Citrus fix
Croprider
De-Pester Ded-Weed LV-2
EINECS 202-361-1
Emulsamine
EPA Pesticide Chemical Code 030001
Green Cross Weed-No-More "80"
Macondray
Red Devil Dry Weed Killer
Scott's 4-XD Weed Control
Weed-B-gon
Weed-Rhap A-4
Weed-Rhap B-266
Weed-Rhap B-4
Weed-Rhap I-3.34
Weed-Rhap LV-4-0
Acido(2,4-dicloro-fenossi)-acetico
Butoxy-D 3: 1 Liquid emulsifiable Brushkiller LV96
UNII-2577AQ9262 FDA Registry Number
(2, 4-Dichlorophenoxy)acetic acid
(2,4-Dichloor-fenoxy)-azijnzuur
(2,4-Dichloor-fenoxy)-azijnzuur (DUTCH)
(2,4-Dichlor-phenoxy)-essigsaeure
(2,4-Dichlor-phenoxy)-essigsaeure (GERMAN)
(2,4-Dichlorophenoxy)acetic acid
(2,4-Dichlorophenyloxy)acetic acid
(2,4-Dichlorphenoxy)acetic acid
(2,4-Dichlorphenoxy)essigsaeure
(2,4-Dichlorphenoxy)essigsaure
(2,4-dichlorophenoxy)-Acetic acid
(2,4-dichlorophenoxy)acetic acid (ACD/Name 4.0)
(Dichlorophenoxy)acetic acid
2,4-D Mecoprop
2,4-D acid
2,4-Dichlorophenoxyacetate
2,4-Dichlorphenoxyessigsaeure
2,4-Dichlorphenoxyessigsaure
2,4-Dwuchlorofenoksyoctowy kwas
2,4-Dwuchlorofenoksyoctowy kwas (POLISH)
2-(2,4-dichlorophenoxy)acetic acid
Acide 2,4-dichloro phenoxyacetique (FRENCH)
Acido(2,4-dicloro-fenossi)-acetico
Acido(2,4-dicloro-fenossi)-acetico (ITALIAN)
Acme LV 4
Acme amine 4
Acme butyl ester 4
Agrotect
Amidox
Aqua-Kleen
Atlas D
Brush-rhap
Chipco turf herbicide D
Chipco turf herbicide quot DQuot
Chloroxone
Crop rider
Crotilin
DMA-4
Dacamine
Debroussaillant 600
Decamine
Ded-Weed
Ded-Weed LV-69
Diclordon
Dicotox
Dinoxol
Dormone
Emulsamine E-3
Emulsamine bk
Envert 171
Envert dt
Esteron
Esteron 44 weed killer
Esteron 76 BE
Esteron 99
Esteron 99 concentrate
Esteron brush killer
Esterone four
Estone
Farmco
Fernesta
Fernoxone
Ferxone
Foredex 75
Formula 40
Hedonal (the herbicide)
Hedonal, herbicide
Herbidal
Ipaner
Krotiline
Kwas 2,4-dwuchlorofenoksyoctowy
Kwasu 2,4-dwuchlorofenoksyoctowego
Kyselina 2,4-dichlorfenoxyoctova
Lawn-keep
Macrondray
Miracle
Monosan
Moxone
Netagrone 600
Pennamine
Pennamine D
Phenox
Pielik
Planotox
Plantgard
RCRA waste number U240
Rhodia
Salvo
Spontox
Spritz-hormin/2,4-D
Spritz-hormit/2,4-D
Super D weedone
Superormone concentre
Transamine
Tributon
Trinoxol
Uniso
Vergemaster
Verton
Verton 2-D
Verton 2D
Verton D
Vertron 2D
Vidon 638
Visko-rhap
Visko-rhap low drift herbicides
Visko-rhap low volatile 4L
Weed tox
Weed-B-gon
Weed-Rhap
Weed-ag-bar
Weedar
Weedar-64
Weedatul
Weedez wonder bar
Weedone
Weedone LV4
Weedtrol
acide 2,4-dichloro phenoxyacetique
15183-39-8 Deleted CAS-RN
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Toxics Release Inventory


Download as:

National Health and Nutrition Examination Survey (NHANES) Inferences (mg/kg-bw/day)

Lower 95th Limit

Upper 95th Limit

Median

Ages 6-11

4.36e-06

3.37e-05

1.05e-05

Ages 12-19

2.63e-06

1.84e-05

5.74e-06

Ages 20-65

2.79e-06

1.80e-05

6.30e-06

Ages 65+

2.52e-06

1.41e-05

5.30e-06

BMI > 30

2.53e-06

1.51e-05

5.20e-06

BMI < 30

3.33e-06

1.99e-05

6.93e-06

Repro. Age Females

2.50e-06

1.61e-05

5.21e-06

Females

2.43e-06

1.63e-05

5.48e-06

Males

3.44e-06

2.12e-05

7.52e-06

Total

3.10e-06

1.82e-05

6.35e-06

Download as:

1490th highest exposure

Exposure Predictions (mg/kg-bw/day)

Median

95th Percentile

Ages 6-11

5.99e-07

3.72e-05

Ages 12-19

4.07e-07

2.11e-05

Ages 20-65

2.98e-07

2.44e-05

Ages 65+

3.85e-07

2.41e-05

BMI > 30

3.03e-07

2.23e-05

BMI < 30

3.58e-07

2.20e-05

Repro. Age Females

1.72e-07

1.69e-05

Females

1.74e-07

1.85e-05

Males

3.21e-07

2.72e-05

Total

3.85e-07

3.37e-05

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