Guides and metrics: Solvent selection guides

Solvent tables

The tables on this page are reproduced from from D. Prat, A. Wells, J. Hayler, Sneddon, C. R. McElroy, S. Abou-Shehada and P. J. Dunn, CHEM21 selection guide of classical- and less classical-solvents, Green Chem., 2016, 18, 288–296.. The material is copyright to the Royal Society of Chemistry (RSC) and is reproduced here with their express permission. If you wish to reproduce it elsewhere you must obtain similar permission from the RSC.

Table 1: CHEM21 solvent guide: ethers, hydrocarbons, halogenated

Family

Solvent

CAS

BP (°C)

FP  (°C)

Worst H3xx*

H4xxvel

Safety score

Health score

Env. score

Ranking by default

Ranking after discussion #

Water

Water

 

100

na

none

none

1

1

1

Recommended

Recommended

Alcohols

MeOH

67-56-1

65

11

H301

none

4

7

5

Problematic

Recommended

EtOH

64-17-5

78

13

H319

none

4

3

3

Recommended

Recommended

n -PrOH

71-23-8

97

15

H318

none

4

4

3

Problematic

Problematic

i -PrOH

67-63-0

82

12

H319

none

4

3

3

Recommended

Recommended

n -BuOH

71-36-3

118

29

H318

none

3

4

3

Recommended

Recommended

i -Butanol

78-83-1

107

28

H318

none

3

4

3

Recommended

Recommended

t -BuOH

75-65-0

82

11

H319

none

4

3

3

Recommended

Recommended

i -Amyl alcohol

123-51-3

131

43

H315

none

3

2

3

Recommended

Recommended

Benzyl alcohol

100-51-6

206

101

H302

none

1

2

7

Problematic

Problematic

Ethylene glycol

107-21-1

198

116

H302

none

1

2

5

Recommended

Recommended

1, 3-Propane diol

504-63-2

214

140

none

none

1

1

7

Problematic

Problematic

Glycerol

56-81-5

290

177

none

none

1

1

7

Problematic

Problematic

Ketones

Acetone

67-64-1

56

-18

H319

none

5

3

5

Problematic

Recommended

MEK

78-93-3

80

-6

H319

none

5

3

3

Recommended

Recommended

MIBK

108-10-1

117

13

H319

none

4

2

3

Recommended

Recommended

Cyclohexanone

108-94-1

156

43

H332

none

3

2

5

Recommended

Problematic

Esters

Methyl acetate

70-20-9

57

-10

H302

none

5

3

5

Problematic

Problematic

Ethyl acetate

141-78-6

77

-4

H319

none

5

3

3

Recommended

Recommended

n -PrOAc

109-60-4

102

14

H319

none

4

2

3

Recommended

Recommended

i -PrOAc

108-21-4

89

2

H319

none

4

2

3

Recommended

Recommended

n -BuOAc

123-86-4

126

22

H336

none

4

2

3

Recommended

Recommended

i -Butyl acetate

110-19-0

115

22

H336

none

4

2

3

Recommended

Recommended

i -Amyl acetate

123-92-2

142

25

none

none

3

1

5

Recommended

Recommended

$γ$-Valerolactone

108-29-2

207

100

n.a.

n.a.

1

5

7

Problematic

Problematic

Glycol diacetate

111-55-7

186

82

none

none

1

1

5

Recommended

Recommended

Diethyl succinate

123-25-1

218

91

n.a.

n.a.

1

5

7

Problematic

Problematic

* Only the highest scoring statements are shown. The lowest figure is given when there are more than one statement in the highest scoring category, for the sake of simplicity;

 

Table 1: CHEM21 solvent guide: ethers, hydrocarbons, halogenated

Family

Solvent

CAS

BP (°C)

FP (°C)

Worst H3xx*

H4xx

Safety score

Health score

Env. score

Ranking by default

Ranking after discussion #

Ethers

Diethyl ether

60-29-7

34

-45

H302

none

10

3

7

Hazardous

Highly hazardous

Diisopropyl ether

108-20-3

69

-28

H336

none

9

3

5

Hazardous

Hazardous

MTBE

1634-04-4

55

-28

H315

none

8

3

5

Hazardous

Hazardous

ETBE

637-92-3

72

-19

H336

none

7

3

3

Problematic

Problematic

TAME

994-05-8

86

-7

H302

none

6

2

3

Recommended

Recommended

CPME

5614-37-9

106

-1

H302

H412

7

2

5

Problematic

Problematic

THF

109-99-9

66

-14

H351

none

6

7

5

Problematic

Problematic

Me-THF

96-47-9

80

-11

H318

none

6

5

3

Problematic

Problematic

1,4-Dioxane

123-91-1

101

12

H351

none

7

6

3

Problematic

Hazardous

Anisole

100-66-3

154

52

none

none

4

1

5

Problematic

Recommended

DME

110-71-4

85

-6

H360

none

7

9

3

Hazardous

Hazardous

Hydrocarbons

Pentane

109-66-0

36

-40

H304

H411

8

3

7

Hazardous

Hazardous

Hexane

110-54-3

69

-22

H361

H411

8

7

7

Hazardous

Hazardous

Heptane

142-82-5

98

-4

H304

H410

6

2

7

Problematic

Problematic

Cyclohexane

110-82-7

81

-17

H304

H410

6

3

7

Problematic

Problematic

Me-Cyclohexane

108-87-2

101

-4

H304

H411

6

2

7

Problematic

Problematic

Benzene

71-43-2

80

-11

H350

none

6

10

3

Hazardous

Highly hazardous

Toluene

108-88-3

111

4

H351

none

5

6

3

Problematic

Problematic

Xylenes

1330-20-7

140

27

H312

none

4

2

5

Problematic

Problematic

D-Limonene

5989-27-5

175

49

H304

H400

4

2

7

Problematic

Problematic

Turpentine

8006-64-2

166

38

H302

H411

4

2

7

Problematic

Problematic

p-Cymene

99-87-6

177

27

n.a.

n.a.

4

5

5

Problematic

Problematic

Halogenated

DCM

75-09-2

40

na

H351

none

1

7

7

Hazardous

Hazardous

Chloroform

67-66-3

61

na

H351

none

2

7

5

Problematic

Highly hazardous

CCl 4

56-23-5

77

na

H351

H420

2

7

10

Hazardous

Highly hazardous

DCE

107-06-2

84

13

H350

none

4

10

3

Hazardous

Highly hazardous

Chlorobenzene

108-90-7

132

29

H332

H411

3

2

7

Problematic

Problematic

* Only the highest scoring statements are shown. The lowest figure is given when there are more than one statement in the highest scoring category, for the sake of simplicity;

 

Table 2: CHEM21 solvent guide: other solvents.

Family

Solvent

CAS

BP (°C)

FP (°C)

Worst H3xx*

H4xx

Safety score

Health score

Env. score

Ranking by default

Ranking after discussion #

Aprotic polar

Acetonitrile

75-05-8

82

2

H319

none

4

3

3

Recommended

Problematic

DMF

68-12-2

153

58

H360

none

3

9

5

Hazardous

Hazardous

DMAc

127-19-5

166

70

H360

none

1

9

5

Hazardous

Hazardous

NMP

872-50-4

202

96

H360

none

1

9

7

Hazardous

Hazardous

DMPU

7226-23-5

246

121

H361

none

1

6

7

Problematic

Problematic

DMSO

67-68-5

189

95

none

none

1

1

5

Recommended

Problematic

Sulfolane

126-33-0

287

177

H360

none

1

9

7

Hazardous

Hazardous

Dimethyl carbonate

616-38-6

90

16

none

none

4

1

3

Recommended

Recommended

Ethylene carbonate

96-49-1

248

143

H302

none

1

2

7

Problematic

Problematic

Propylene carbonate

108-32-7

242

132

H319

none

1

2

7

Problematic

Problematic

Cyrene

53716-82-8

203

61

H319

none

1

2

7

Problematic

Problematic

HMPA

680-31-9

>200

144

H350

none

1

9

7

Hazardous

Highly hazardous

Nitromethane

75-52-5

101

35

H302

none

10

2

3

Hazardous

Highly hazardous

Acids

Formic acid

64-18-6

101

49

H314

none

3

7

3

Problematic

Problematic

Acetic acid

67-19-7

118

39

H314

none

3

7

3

Problematic

Problematic

Ac 2 O

108-24-7

139

49

H314

none

3

7

3

Problematic

Problematic

Amines

Pyridine

110-86-1

115

23

H302

none

3

2

3

Recommended

Hazardous

TEA

121-44-8

89

-6

H314

none

6

7

3

Problematic

Hazardous

* Only the highest scoring statements are shown. The lowest figure is given when there are more than one statement in the highest scoring category, for the sake of simplicity.

Miscellaneous

Methoxy-ethanol

109-86-4

125

42

H360

none

3

9

3

Hazardous

Hazardous

Ethyl L-lactate

687-47-8

155

47

H318

none

3

4

5

Problematic

Problematic

Lactic acid

50-21-5

230

113

H318

none

1

4

7

Problematic

Problematic

TH-furfuryl alcohol

97-99-4

178

75

H360

none

1

9

5

Hazardous

Hazardous

Carbon disulfide

75-15-0

46

-30

H361

H412

9

7

7

Hazardous

Highly hazardous