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Basic Information
| CAS No.: | 594-61-6 |
|---|---|
| Name: | 2-Hydroxyisobutyric acid |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8O3 |
| Molecular Weight: | 104.106 |
| Synonyms: | Isobutyricacid, a-hydroxy- (3CI);Lactic acid, 2-methyl-(8CI);2-Hydroxy-2-methylpropanoic acid;2-Hydroxyisobutyricacid;2-Methyllactic acid;Acetonic acid;Hydroxydimethylacetic acid;NSC402158;NSC 4505;a-HIB;a-Hydroxy-a-methylpropanoicacid;a-Hydroxyisobutanoic acid; |
| EINECS: | 209-848-8 |
| Density: | 11412 |
| Melting Point: | 76-80 °C(lit.) |
| Boiling Point: | 84 °C 1.5 mm Hg(lit.) |
| Flash Point: | 114 °C/12mm |
| Solubility: | Soluble in water, ether, alcohol, methanol and hot benzene. |
| Appearance: | white to off-white needle-like crystals |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41-36/37/38 |
| Safety: | 26-39-25-36 |
| PSA: | 57.53000 |
| LogP: | -0.15810 |
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Synthetic route
- 49562-37-0
2-methyl-2-sulphatopropionamide
- 13027-88-8
2-hydroxyisobutyramide
- 594-61-6
2-methyllactic acid
Conditions
| Conditions | Yield |
|---|---|
| With methanesulfonic acid; water at 130℃; under 1875.19 Torr; for 1h; Product distribution / selectivity; | 99.3% |
| With nitromethane; water at 120℃; under 1875.19 Torr; for 1h; Product distribution / selectivity; | 98% |
| With water; acetic acid at 130℃; under 1875.19 Torr; for 1h; Product distribution / selectivity; | 98.8% |
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: 2-hydroxy-2-methylpropanenitrile With sulfuric acid; water; 1-Nitropropane at 40 - 55℃; for 0.5h; Stage #2: With water; 1-Nitropropane at 130℃; for 1h; Product distribution / selectivity; | 99.2% |
| Stage #1: 2-hydroxy-2-methylpropanenitrile With nitromethane; sulfuric acid; water at 40 - 55℃; for 0.25 - 0.5h; Stage #2: With nitromethane; water at 120 - 130℃; for 0.5 - 1h; Product distribution / selectivity; | 98% |
| Stage #1: 2-hydroxy-2-methylpropanenitrile With Nitroethane; sulfuric acid; water at 40 - 55℃; for 0.333333h; Stage #2: With Nitroethane; water at 120 - 130℃; for 0.75 - 1h; Product distribution / selectivity; | 98% |
- 54030-60-3
2-isopropylidene-1,3-benzodithiole
A
- 594-61-6
2-methyllactic acid
B
- 6461-76-3
1,2-benzenedisulfonyl dichloride
Conditions
| Conditions | Yield |
|---|---|
| With chlorine In water; tert-butyl alcohol at 0 - 5℃; for 2h; | A 77% B 95% |
Conditions
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol; water at 20℃; | 89% |
Conditions
| Conditions | Yield |
|---|---|
| With hydrogenchloride In diethyl ether | 85% |
- 67-56-1
methanol
- 49562-37-0
2-methyl-2-sulphatopropionamide
- 13027-88-8
2-hydroxyisobutyramide
A
- 594-61-6
2-methyllactic acid
B
- 2110-78-3
methyl 2-hydroxy-2-methylpropionate
Conditions
| Conditions | Yield |
|---|---|
| With water; acetic acid at 115℃; under 1875.19 Torr; for 1h; Product distribution / selectivity; | A 19.2% B 81.5% |
...Expand
- 67-66-3
chloroform
- 67-64-1
acetone
- 53409-18-0
1-benzyl-4-methyl-1,2-dihydro-pyrazol-3-one
A
- 79-41-4
poly(methacrylic acid)
B
- 594-61-6
2-methyllactic acid
C
- 594-58-1
2-chloro-2-methylpropanoic acid
D
- 68430-08-0
2-(1-benzyl-4-methyl-1H-pyrazol-3-yloxy)-2-methyl-propionic acid
Conditions
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 49 - 54℃; Further byproducts given; | A 0.07 mol B 0.15 mol C n/a D 77.2% |
...Expand
- 133585-73-6
(8aS)-3,3-dimethyl-1,4-dioxo-3,4,6,7,8,8a-hexahydro-1H-pyrrolo<2,1-c><1,4>oxazine
- 594-61-6
2-methyllactic acid
Conditions
| Conditions | Yield |
|---|---|
| With potassium hydroxide; water for 2h; Heating; | 63% |
- 97-65-4
2-methylenesuccinic acid
A
- 187737-37-7
propene
B
- 79-41-4
poly(methacrylic acid)
C
- 594-61-6
2-methyllactic acid
D
- 124-38-9
carbon dioxide
E
- 127-17-3
2-oxo-propionic acid
F
- 67-64-1
acetone
Conditions
| Conditions | Yield |
|---|---|
| With barium hexa-aluminate In water at 250℃; under 15001.5 Torr; for 3h; Reagent/catalyst; Autoclave; Inert atmosphere; | A n/a B 50% C n/a D n/a E n/a F n/a |
...Expand
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2-Hydroxyisobutyric acid
Chemistry
The molecular formula of 2-hydroxyisobutyric acid(594-61-6) is C4H8O3 and its formula weight is 104.1.
2-hydroxyisobutyric acid(594-61-6) has a melting point of 76-80 °C(lit.). The boiling point is 84 °C1.5 mm Hg(lit.). Its flash point is 114°C/12mm and the vapor pressure is 0.04 (25°C).
The chemical synonyms of 2-hydroxyisobutyric acid(594-61-6) are RARECHEM AL BO 0199;(CH3)2COHCOOH;2-hydroxy-2-methyl-propanoicaci;alpha-Hydroxyisobutanoic acid;Hydroxydimethylacetic acid;Hydroxyisobutyricacid;Lactic acid, 2-methyl-;Lactic acid, 2-methyl-, L-
The molecular structure of 2-hydroxyisobutyric acid(594-61-6):
2-hydroxyisobutyric acid(594-61-6) has a melting point of 76-80 °C(lit.). The boiling point is 84 °C1.5 mm Hg(lit.). Its flash point is 114°C/12mm and the vapor pressure is 0.04 (25°C).
The chemical synonyms of 2-hydroxyisobutyric acid(594-61-6) are RARECHEM AL BO 0199;(CH3)2COHCOOH;2-hydroxy-2-methyl-propanoicaci;alpha-Hydroxyisobutanoic acid;Hydroxydimethylacetic acid;Hydroxyisobutyricacid;Lactic acid, 2-methyl-;Lactic acid, 2-methyl-, L-
The molecular structure of 2-hydroxyisobutyric acid(594-61-6):
Uses
Used in organic synthesis.
Toxicity Data With Reference
RTECS#: CAS# 594-61-6: None listed
LD50/LC50: RTECS: Not available.
Carcinogenicity: 2-Hydroxyisobutyric acid - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
LD50/LC50: RTECS: Not available.
Carcinogenicity: 2-Hydroxyisobutyric acid - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Safety Profile
Hazard Codes Xi
Risk Statements 37/38-41-36/37/38
Safety Statements 26-39-25-36
WGK Germany 3
Hazard Note Irritant
HS Code 29181980
Risk Statements 37/38-41-36/37/38
Safety Statements 26-39-25-36
WGK Germany 3
Hazard Note Irritant
HS Code 29181980
Specification
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Incompatible materials, reducing agents, bases.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Has not been reported.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Incompatible materials, reducing agents, bases.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Has not been reported.