Methylglyoxal supplier | CasNO.78-98-8

Name
Methylglyoxal
EINECS 201-164-8
CAS No. 78-98-8
Article Data342
CAS DataBase
Density 0.994 g/cm³
Solubility >=10 g/100 mL at 17 ºC in water
Melting Point 25 ºC
Formula C₃H₄O₂
Boiling Point 71.999 ºC at 760 mmHg
Molecular Weight 72.0636
Flash Point 2.468 ºC
Transport Information
Appearance Clear yellow slightly viscous liquid with a pungent odor
Safety 26-36
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn, Xi
Synonyms Pyruvaldehyde(8CI);2-Ketopropionaldehyde;2-Oxopropanal;2-Oxopropionaldehyde;Acetylformaldehyde;Acetylformyl;NSC 626580;NSC 79019;Pyroracemic aldehyde;Pyruvic aldehyde;a-Ketopropionaldehyde;Methylglyoxal;
PSA 34.14000
LogP -0.22570

Synthetic route

: 116-09-6
hydroxy-2-propanone

A: 75-07-0
acetaldehyde

B: 64-19-7
acetic acid

C: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With oxygen at 300℃;	A 5.79% B 92.17% C 2.04%

...Expand

: 116-09-6
hydroxy-2-propanone

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With iron(III) phosphate; oxygen In water at 200℃; Oxidation;	88%
With oxygen In methanol at 60℃; under 15001.5 Torr; for 6h;	18%
With copper (I) acetate

: 96-26-4
dihydroxyacetone

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With sulfuric acid In water at 109.84℃; for 2h; Time; Reagent/catalyst;	80%

: 67-64-1
acetone

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With selenium(IV) oxide at 80℃; for 12h;	74%
With sodium periodate; perchloric acid In water at 60℃; Rate constant;
With ruthenium trichloride; sodium periodate; perchloric acid In water at 40 - 60℃; Thermodynamic data; Mechanism; ΔE(excit.), ΔH(excit.), ΔS(excit.);

: 108-67-8
1,3,5-trimethyl-benzene

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	65.2%
With ozone

: 57-55-6
propylene glycol

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; vanadyl(IV) sulphate pentahydrate In water; acetonitrile at 20℃; for 6h; Green chemistry;	65%
With air; silver contact at 390℃;
With bromine; potassium carbonate

: 32380-81-7
N-(2-oxopropoxy)phthalimide

A: 136918-14-4
phthalimide

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
at 400℃; under 0.01 Torr; for 2.77778E-06h; Kinetics; Temperature;	A 60% B 14%

: 56-81-5
glycerol

A: 2134-29-4
3-Hydroxypropanal

B: 116-09-6
hydroxy-2-propanone

C: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
In water at 400℃;	A 60% B 10% C 30%

...Expand

: 108-38-3
m-xylene

A: 131543-46-9
Glyoxal

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	A 11.3% B 56.8%

: 87-72-9, 608-45-7, 608-46-8, 608-47-9, 2460-44-8, 6748-95-4, 6763-34-4, 7261-26-9, 7283-06-9, 7283-07-0, 7296-55-1, 7296-56-2, 7296-58-4, 7296-59-5, 7296-60-8, 7296-61-9, 7296-62-0, 7322-30-7, 10257-31-5, 10257-32-6, 10257-33-7, 10257-34-8, 10257-35-9, 19982-83-3, 20242-88-0, 28697-53-2, 36562-42-2, 41546-41-2, 89299-64-9, 107655-34-5, 115794-06-4, 115794-07-5, 130550-15-1, 130606-21-2
D-Xylose

A: 98-01-1
furfural

B: 96-26-4
dihydroxyacetone

C: 141-46-8
Glycolaldehyde

D: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With SO4(2-)/12 wt percent ZrO2-Al2O3/SBA-15 In water; toluene at 160℃; for 4h;	A 52.7% B n/a C n/a D n/a

...Expand

: 6342-56-9
Pyruvic aldehyde dimethyl acetal

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With sulfuric acid for 0.416667h; Heating;	50%
With water Acidic conditions;	50%
With sulfuric acid

: 56-81-5
glycerol

A: 64-18-6
formic acid

B: 849585-22-4
LACTIC ACID

C: 64-19-7
acetic acid

D: 127-17-3
2-oxo-propionic acid

E: 79-10-7
acrylic acid

F: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
Stage #1: glycerol With sodium hydroxide; water at 300℃; for 1h; Compressed liquid(s); Stage #2: With sulfuric acid In water Product distribution / selectivity;	A n/a B 40% C n/a D n/a E n/a F n/a

...Expand

: 56-82-6
Glyceraldehyde

A: 849585-22-4
LACTIC ACID

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With tin(ll) chloride In water at 109.84℃; under 22502.3 Torr; for 3h; Catalytic behavior; Inert atmosphere; Autoclave;	A 5% B 39%

: 106-42-3
para-xylene

A: 131543-46-9
Glyoxal

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	A 38.5% B 17.8%

: 95-47-6
o-xylene

A: 131543-46-9
Glyoxal

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	A 13.4% B 34.5%

: 95-63-6
1,2,4-Trimethylbenzene

A: 131543-46-9
Glyoxal

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; oxygen; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	A 8.5% B 34.3%

: 96-26-4
dihydroxyacetone

A: 849585-22-4
LACTIC ACID

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With MoO40W12(3-)*Al(3+) In water at 60℃; under 7500.75 Torr; for 20h; Autoclave; Inert atmosphere;	A 15% B 25%
With lutetium triflate In water at 109.84℃; for 1h; Reagent/catalyst;
With silica-supported titanium oxide In water at 130℃; for 3h; Kinetics; Reagent/catalyst;
In water at 90℃; for 4h; Catalytic behavior; Reagent/catalyst; Time;

: 56-81-5
glycerol

A: 849585-22-4
LACTIC ACID

B: 96-26-4
dihydroxyacetone

C: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With MoO40W12(3-)*Al(3+); oxygen In water at 60℃; under 7500.75 Torr; for 20h; Kinetics; Autoclave;	A 25% B 14.5% C 6.2%

...Expand

: 56-82-6
Glyceraldehyde

A: 96-26-4
dihydroxyacetone

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With MoO40W12(3-)*Al(3+) In water at 60℃; under 7500.75 Torr; for 20h; Autoclave; Inert atmosphere;	A 25% B 9%

: 122-57-6
1-Phenylbut-1-en-3-one

A: 100-52-7
benzaldehyde

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With dihydrogen peroxide In water; acetonitrile at 20℃; under 760.051 Torr; for 5h;	A 24% B n/a

: 108-88-3
toluene

A: 131543-46-9
Glyoxal

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	A 23.7% B 18.6%

: 78-93-3
butanone

A: 74-85-1
ethene

B: 75-07-0
acetaldehyde

C: 67-64-1
acetone

D: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With serpentine at 300 - 445℃; Flow reactor;	A 5.6% B 10.1% C 22.4% D 6.2%
With serpentine at 300 - 500℃; Flow reactor;	A 13.9% B 18% C 16.7% D 8.7%
With sulfated zirconia with MgO at 300 - 500℃; Flow reactor;	A 6.2% B 12.5% C 14.3% D 5.4%

...Expand

: 78-93-3
butanone

A: 67-64-1
acetone

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With sulfated zirconia at 300 - 445℃; Flow reactor;	A 19.6% B 5.2%
With sulfated zirconia with MgO at 300 - 445℃; Flow reactor;	A 17.8% B 6.6%
With silica-alumina with MgO at 300 - 445℃; Flow reactor;	A 5.2% B 5.3%

: 526-73-8
1,2,3-trimethylbenzene

A: 131543-46-9
Glyoxal

B: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	A 6.4% B 18.1%

: 56-81-5
glycerol

A: 96-26-4
dihydroxyacetone

B: 56-82-6
Glyceraldehyde

C: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With 3H(1+)*MoO40W12(3-); oxygen In water at 60℃; under 7500.75 Torr; for 20h; Autoclave;	A 16% B 14.9% C 8.4%

...Expand

: 78-93-3
butanone

A: 75-07-0
acetaldehyde

B: 67-64-1
acetone

C: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With silica-alumina at 300 - 445℃; Flow reactor;	A 9.4% B 9.4% C 6%

...Expand

: 78-85-3
2-methylpropenal

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With methyl nitrite; nitrogen(II) oxide at 24.84℃; under 740 Torr; Inert atmosphere; Photolysis;	8.4%

: 14920-89-9
2,3-dimethylfuran

A: 535-09-1
3-methyl-4-oxo-2-pentenal

B: 131543-46-9
Glyoxal

C: 141-46-8
Glycolaldehyde

D: 431-03-8
dimethylglyoxal

E: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With hydroxyl radical; nitrogen(II) oxide at 22.84℃; under 735 Torr; Gas phase;	A 8% B n/a C n/a D n/a E n/a

...Expand

: 110-86-1
pyridine

: 1620-14-0
1-(diethylamino)propan-2-one

: 94-36-0
dibenzoyl peroxide

A: 109-89-7
diethylamine

B: 78-98-8
2-oxopropanal

...Expand

: 674-82-8
4-methyleneoxetan-2-one

: 78-98-8
2-oxopropanal

Conditions

Conditions	Yield
With tetrachloromethane; ozone

: 78-98-8
2-oxopropanal

: 849585-22-4
LACTIC ACID

Conditions

Conditions	Yield
With barium hydroxide octahydrate at 25℃; for 48h; Inert atmosphere;	100%
With scandium(III) chloride In water at 109.84℃; for 1h; Reagent/catalyst;	90%
With aluminum (III) chloride In water at 170℃; for 0.333333h; Autoclave;	87%

: 27298-98-2
(S)-1-(4-methylphenyl)ethylamine

: 78-98-8
2-oxopropanal

: N-[(S)-1-(4-methylphenyl)ethyl]-2-oxopropan-1-imine

Conditions

Conditions	Yield
	100%

: 2627-86-3
(S)-1-phenyl-ethylamine

: 78-98-8
2-oxopropanal

: 2-oxo-N-[(S)-1-phenylethyl]propan-1-imine

Conditions

Conditions	Yield
	100%

: 868-59-7
L-cysteine ethyl ester hydrochloride

: 78-98-8
2-oxopropanal

: 2-acetyl-4-ethoxycarbonylthiazolidine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol; water at 20℃; for 12h;	100%
With sodium hydrogencarbonate In ethanol; water at 20℃; for 18h; Inert atmosphere;
With sodium hydrogencarbonate In ethanol; water
With sodium hydrogencarbonate In ethanol; water at 20℃; for 18h;

: 100-63-0
phenylhydrazine

: 78-98-8
2-oxopropanal

: 5391-74-2
1-(phenylhydrazono)-propan-2-one

Conditions

Conditions	Yield
With acetic acid In water at 20℃;	100%
In water at 25℃; Inert atmosphere;	85%
With acetic acid In water at 20℃; for 1h;

: 1073-62-7, 20570-96-1
N-benzylhydrazine hydrochloride

: 78-98-8
2-oxopropanal

: 109299-37-8
1-benzylhydrazonopropanone

Conditions

Conditions	Yield
In water at 20℃;	100%

: 60-34-4
methylhydrazine

: 78-98-8
2-oxopropanal

: 85985-64-4
1-(4-hydroxy-1,5-dimethyl-1H-pyrazol-3-yl)ethanone

Conditions

Conditions	Yield
With acetic acid In water for 3h; Reflux;	100%

: 555-96-4
Benzylhydrazine

: 78-98-8
2-oxopropanal

: 109299-37-8
1-benzylhydrazonopropanone

Conditions

Conditions	Yield
In water	100%

: 624-80-6
ethylhydrazine

: 78-98-8
2-oxopropanal

: 2-oxopropanal ethylhydrazone

Conditions

Conditions	Yield
In methanol; water at 0 - 20℃; for 2.75h;	99%

: 10075-50-0
5-bromo-1H-indole

: 123-54-6
acetylacetone

: 78-98-8
2-oxopropanal

: 3-acetyl-4-(5-bromo-1H-indol-3-yl)hexane-2,5-dione

Conditions

Conditions	Yield
In water at 80℃; for 5h;	99%

...Expand

: 120-72-9
indole

: 141-97-9
ethyl acetoacetate

: 78-98-8
2-oxopropanal

: ethyl 2-acetyl-3-(1H-indol-3-yl)-4-oxopentanoate

Conditions

Conditions	Yield
In water at 80℃; for 5h;	99%

...Expand

: 7400-27-3
tertbutylhydrazine hydrochloride

: 78-98-8
2-oxopropanal

: 1-(2-(tert-butyl)hydrazono)propan-2-one

Conditions

Conditions	Yield
In water at 20℃; for 1.5h;	98%
In water at 20℃; for 2h;	85%
Stage #1: tertbutylhydrazine hydrochloride; 2-oxopropanal In water at 23℃; Stage #2: With sodium hydroxide In tert-butyl methyl ether; water

: 120-72-9
indole

: 123-54-6
acetylacetone

: 78-98-8
2-oxopropanal

: 3-acetyl-4-(1H-indol-3-yl)hexane-2,5-dione

Conditions

Conditions	Yield
In water at 80℃; for 5h; Solvent; Temperature; Time;	98%
With water In neat (no solvent) for 0.1h; Microwave irradiation; Green chemistry;

...Expand

: 2380-94-1
1H-indol-4-ol

: 123-54-6
acetylacetone

: 78-98-8
2-oxopropanal

: 3-acetyl-4-(4-hydroxy-1H-indol-3-yl)hexane-2,5-dione

Conditions

Conditions	Yield
In water at 80℃; for 5h;	98%

...Expand

: 399-51-9
6-fluoro-1H-indole

: 123-54-6
acetylacetone

: 78-98-8
2-oxopropanal

: 3-acetyl-4-(6-fluoro-1H-indol-3-yl)hexane-2,5-dione

Conditions

Conditions	Yield
In water at 80℃; for 5h;	98%

...Expand

: 60-82-2
3-(4-Hydroxy-phenyl)-1-(2,4,6-trihydroxy-phenyl)-propan-1-on

: 78-98-8
2-oxopropanal

: 2-hydroxy-1-(2,4,6-trihydroxy-3-(1-hydroxy-2-oxopropyl)-5-(3-(4-hydroxyphenyl)propanoyl)phenyl)propan-1-one

Conditions

Conditions	Yield
In aq. phosphate buffer at 37℃; for 2h; Darkness;	98%

: 60-82-2
3-(4-Hydroxy-phenyl)-1-(2,4,6-trihydroxy-phenyl)-propan-1-on

: 78-98-8
2-oxopropanal

A: 2-hydroxy-1-(2,4,6-trihydroxy-3-(1-hydroxy-2-oxopropyl)-5-(3-(4-hydroxyphenyl)propanoyl)phenyl)propan-1-one

B: C21H22O9

C: C21H22O9

D: C18H18O7

E: C18H18O7

Conditions

Conditions	Yield
In aq. phosphate buffer at 37℃; for 24h;	A 98% B n/a C n/a D n/a E n/a

...Expand

: 4426-21-5
oxybis(diphenylborane)

: 1670-14-0
benzamidine monohydrochloride

: 78-98-8
2-oxopropanal

: 115438-37-4
1-methyl-3,3,7-triphenyl-2,4-dioxa-8-aza-6-azonia-3-boratabicyclo{3.3.3}oct-6-ene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol room temp.; crystn. from reaction mixt., washing (ethanol, ether), or evapn., extraction (hot ethanol), crystn. on cooling; elem. anal.;	97%

...Expand

: 146896-52-8
2-phenyl-5-methylene-4,5-dihydrooxazole

: 78-98-8
2-oxopropanal

: 1616778-00-7
3-hydroxy-4-(2-phenyloxazol-5-yl)butan-2-one

Conditions

Conditions	Yield
With C39H60N4O4Ni(2+)2BF4(1-)*6H2O In dichloromethane at 30℃; for 24h; enantioselective reaction;	97%

: 343338-28-3
(S)-2-methylpropane-2-sulfinamide

: 78-98-8
2-oxopropanal

: (SS,E)-N-(tert-butanesulfinyl)-1-iminopropan-2-one

Conditions

Conditions	Yield
With copper(II) sulfate In dichloromethane at 23℃; for 24h; Inert atmosphere;	97%

: 6340-91-6
n-propylhydrazine oxalate

: 78-98-8
2-oxopropanal

: 1355228-90-8
2-oxopropanal propylhydrazone

Conditions

Conditions	Yield
Stage #1: n-propylhydrazine oxalate; 2-oxopropanal With acetic acid In water at 20℃; Stage #2: With sodium hydrogencarbonate In dichloromethane; water	96%

: 2627-86-3
(S)-1-phenyl-ethylamine

: 78-98-8
2-oxopropanal

: (1S,2S)-(-)-N1,N2-bis(1-phenylethyl)-1,2-propanediimine

Conditions

Conditions	Yield
With sodium sulfate In diethyl ether; water at 20℃; for 24h;	96%

: 5039-61-2
n-propylhydrazine

: 78-98-8
2-oxopropanal

: 1355228-90-8
2-oxopropanal propylhydrazone

Conditions

Conditions	Yield
With acetic acid In water	96%

: 50820-65-0
indole-6-carboxylic acid methyl ester

: 123-54-6
acetylacetone

: 78-98-8
2-oxopropanal

: methyl 3-(4-acetyl-2,5-dioxohexan-3-yl)-1H-indole-6-carboxylate

Conditions

Conditions	Yield
In water at 80℃; for 5h;	96%

...Expand

: 22867-74-9
7-ethyl-1H-indole

: 123-54-6
acetylacetone

: 78-98-8
2-oxopropanal

: 3-acetyl-4-(7-ethyl-1H-indol-3-yl)hexane-2,5-dione

Conditions

Conditions	Yield
In water at 80℃; for 5h;	96%

...Expand

: 57-13-6
urea

: 78-98-8
2-oxopropanal

: 3720-96-5
1-methyl-2,4,6,8-tetraazabicyclo[3.3.0]octan-3,7-dione

Conditions

Conditions	Yield
With 1-hydroxyethylene-(1,1-diphosphonic acid) In water at 80℃; for 1h; Green chemistry;	96%

: 95-54-5
1,2-diamino-benzene

: 78-98-8
2-oxopropanal

: 7251-61-8
2-methylquinoxaline

Conditions

Conditions	Yield
In water for 0.0333333h; Isay condensation; microwave irradiation;	95%
Stage #1: 2-oxopropanal With sodium disulfite In water for 0.166667h; Addition; Stage #2: 1,2-diamino-benzene In water at 20℃; for 18h; Condensation; Cyclization;	91%
In water at 20℃; for 0.5h; Green chemistry;	85%

: 563-41-7
semicarbazide hydrochloride

: 78-98-8
2-oxopropanal

: 10200-47-2
methylglyoxal disemicarbazone

Conditions

Conditions	Yield
With sodium acetate In water for 0.5h; Heating;	95%
Stage #1: semicarbazide hydrochloride With sodium acetate In ethanol for 0.333333h; Reflux; Stage #2: 2-oxopropanal for 0.583333h; Reflux;	89%
With water; potassium acetate

: 99-56-9
4-Nitrophenylene-1,2-diamine

: 78-98-8
2-oxopropanal

: 2942-02-1
2-methyl-6-nitroquinoxaline

Conditions

Conditions	Yield
Heating;	95%
In water for 1.5h; Reflux;	90%
In water	87%

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

: 78-98-8
2-oxopropanal

A: (S)-tert-butyl 3-[(1R)-1-hydroxy-2-oxopropyl]-4-oxopiperidine-1-carboxylate

B: tert-butyl 3-[1-hydroxy-2-oxopropyl]-4-oxopiperidine-1-carboxylate

Conditions

Conditions	Yield
With C32H29N3O3S In water at 25℃; for 30h; Aldol Addition; enantioselective reaction;	A 95% B n/a

...Expand

Methylglyoxal Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 51 ,1991,p. 443.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 51 ,1991,p. 443.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 51 ,1991,p. 443.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Methylglyoxal Specification

The Methylglyoxal, with the CAS registry number 78-98-8, is also known as Acetylformaldehyde. It belongs to the product categories of Aldehydes; Blocks; Building Blocks; Aliphatics. Its EINECS registry number is 201-164-8. This chemical's molecular formula is C₃H₄O₂ and molecular weight is 72.06. What's more, both its IUPAC name and systematic name are the same which is called 2-Oxopropanal. It is the aldehyde form of pyruvic acid. It has two carbonyl groups, so it is a dicarbonyl compound. In organisms, this chemical is formed as a side-product of several metabolic pathways. It may form from 3-amino acetone, which is an intermediate of threonine catabolism, as well as through lipid peroxidation. However, the most important source is glycolysis.

Physical properties about Methylglyoxalare:
(1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.181; (5)ACD/KOC (pH 7.4): 14.181; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 34.14 Å²; (10)Index of Refraction: 1.364; (11)Molar Refractivity: 16.164 cm³; (12)Molar Volume: 72.494 cm³; (13)Surface Tension: 27.133 dyne/cm; (14)Density: 0.994 g/cm³; (15)Flash Point: 2.468 °C; (16)Enthalpy of Vaporization: 31.343 kJ/mol; (17)Boiling Point: 71.999 °C at 760 mmHg; (18)Vapour Pressure: 120.93 mmHg at 25 °C.

Preparation of Methylglyoxal:
Methylglyoxal can be prepared by 1-Hydroxy-propan-2-one. This reaction needs reagents O₂, FePO₄ and solvent H₂O at temperature of 200 °C. The yield is 88 %.

Uses of Methylglyoxal:
(1) it is used as medicine, pesticide intermediates and biochemical reagents; (2) it is used to produce other chemicals. For example, it can react with Hydroxyacetaldehyde to get (4-Methyl-1(3)H-imidazol-2-yl)-methanol. The reaction occurs with reagent NH₃ and solvent ethanol at temperature of 40 °C . The yield is 35 %.
Methylglyoxal can react with Hydroxyacetaldehyde to get (4-Methyl-1(3)H-imidazol-2-yl)-methanol.

Safety Information of Methylglyoxal:
When you are dealing with Methylglyoxal, you should be very careful. This chemical may cause damage to health and cause inflammation to the skin or other mucous membranes. It is irritating to eyes and it is harmful if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)C=O
(2) InChI: InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
(3) InChIKey: AIJULSRZWUXGPQ-UHFFFAOYSA-N

The toxicity data of Methylglyoxal is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	179mg/kg (179mg/kg)	National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse	LD50	intravenous	252mg/kg (252mg/kg)	Cesko-Slovenska Farmacie. Vol. 15, Pg. 300, 1966.
rat	LD50	oral	1165mg/kg (1165mg/kg)	Ecotoxicology and Environmental Safety. Vol. 2, Pg. 369, 1978.

Product Name

Methylglyoxal

Synthetic route

Methylglyoxal Consensus Reports

Methylglyoxal Specification

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