2-Hydroxyisobutyric acid
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2-Hydroxyisobutyric acid
structure -
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CAS No:
594-61-6
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Formula:
C4H8O3
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Chemical Name:
2-Hydroxyisobutyric acid
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Synonyms:
Propanoic acid,2-hydroxy-2-methyl-;Lactic acid,2-methyl-;Isobutyric acid,α-hydroxy-;2-Hydroxy-2-methylpropanoic acid;α-Hydroxyisobutyric acid;2-Hydroxyisobutyric acid;2-Hydroxy-2-methylpropionic acid;2-Methyllactic acid;Hydroxydimethylacetic acid;Acetonic acid;α-Hydroxyisobutanoic acid;α-Hydroxy-α-methylpropanoic acid;α-HIB;NSC 402158;NSC 4505;2,2-Dimethylglycolic acid;Alpha-hydroxyisobutanoic acid;2-Hydroxyisobutanoic acid;27909-95-1
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CAS No:
Description
white to off-white needle-like crystals or
Solid
2-hydroxyisobutyric acid is a 2-hydroxy monocarboxylic acid that is isobutyric acid bearing a hydroxy substituent at position 2. It is a metabolite of methyl tertiary-butyl ether. It has a role as a human xenobiotic metabolite. It derives from an isobutyric acid. It is a conjugate acid of a 2-hydroxyisobutyrate.
2-Hydroxyisobutyric acid Basic Attributes
104.1
104.10
209-848-8
DMW250U2HF
402158|4505
DTXSID4032954
2918199090
Characteristics
57.5
-0.4
Solid
1.2±0.1 g/cm3
82.5 °C
212 °C
104.9±16.3 °C
1.457
Soluble in water, ether, alcohol, methanol and hot benzene.
Store in a cool, dry place. Keep container closed when not in use. Refrigerator (approx 4ºC).
0.01 mmHg
Safety Information
NONH for all modes of transport
3
R41
S26-S39-S25
Xi:Irritant;
Stable under normal temperatures and pressures.
P261-P280-P305 + P351 + P338
H315-H318-H335
|Danger|H302 (49.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 114 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Hydroxyisobutyric acid Use and Manufacturing
2-Hydroxyisobutyric acid is used as background electrolyte for separation and detection of the metal ions by on-line cyclic voltammetry.
Propanoic acid, 2-hydroxy-2-methyl-: ACTIVE
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Computed Properties
Molecular Weight:104.10
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:104.047344113
Monoisotopic Mass:104.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:7
Complexity:84.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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