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Cas Database

Name	2-hydroxyisobutyric acid	EINECS	209-848-8
CAS No.	594-61-6	Density	11412
PSA	57.53000	LogP	-0.15810
Solubility	Soluble in water, ether, alcohol, methanol and hot benzene.	Melting Point	76-80 °C(lit.)
Formula	C₄H₈O₃	Boiling Point	84 °C 1.5 mm Hg(lit.)
Molecular Weight	104.106	Flash Point	114 °C/12mm
Transport Information	N/A	Appearance	white to off-white needle-like crystals
Safety	26-39-25-36	Risk Codes	37/38-41-36/37/38
Molecular Structure		Hazard Symbols	Xi
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;	Article Data	152

2-hydroxyisobutyric acid 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%

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 594-61-6
2-methyllactic acid

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%

: 80-55-7
ethyl 2-hydroxy-2,2-dimethylethanoate

: 594-61-6
2-methyllactic acid

Conditions

Conditions	Yield
With potassium hydroxide In methanol; water at 20℃;	89%

cyanohydrin: cyanohydrin

: 75-86-5
2-hydroxy-2-methylpropanenitrile

: 594-61-6
2-methyllactic acid

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%

: 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

: 503-17-3
dimethylacetylene

A: 4401-11-0
1-oxiranyl-ethanone

B: 4560-54-7
2,2,5,5-Tetramethyl-1,3-dioxolane-4-one

C: 594-61-6
2-methyllactic acid

Conditions

Conditions	Yield
With 3,3-dimethyldioxirane In acetone for 20h; Ambient temperature;	A n/a B 3% C 42%

2-hydroxyisobutyric acid Chemical Properties

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 Uses

Used in organic synthesis.

2-hydroxyisobutyric acid 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.

2-hydroxyisobutyric acid 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

2-hydroxyisobutyric acid 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.

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