(±)-2-Hydroxyisocaproic acid
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(±)-2-Hydroxyisocaproic acid
structure -
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CAS No:
498-36-2
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Formula:
C6H12O3
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Chemical Name:
(±)-2-Hydroxyisocaproic acid
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Synonyms:
Pentanoic acid,2-hydroxy-4-methyl-;Valeric acid,2-hydroxy-4-methyl-;Leucic acid;2-Hydroxy-4-methylpentanoic acid;α-Hydroxyisocaproic acid;α-Hydroxy-iso-caproic acid;α-Hydroxyisocaproate;2-Hydroxyisocaproic acid;2-Hydroxy-4-methylvaleric acid;2-Hydroxyisohexanoic acid;(±)-α-Hydroxyisocaproic acid;DL-α-Hydroxyisocaproic acid;(±)-Leucinic acid;(±)-2-Hydroxyisohexanoic acid;DL-2-Hydroxy-4-methylpentanoic acid;DL-2-Hydroxyisocaproic acid;(±)-2-Hydroxyisocaproic acid;DL-Leucic acid;(±)-Leucic acid;Leucinic acid;10303-64-7;26671-68-1;359875-10-8
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CAS No:
Description
ChEBI: A valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome.
Solid
2-hydroxy-4-methylvaleric acid is a valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a branched-chain fatty acid. It derives from a valeric acid. It is a conjugate acid of a 2-hydroxy-4-methylvalerate.
Characteristics
57.53000
0.71
Solid
1.1±0.1 g/cm3
76-77 °C @ Solvent: Diethyl ether, Ligroine
251.3±13.0 °C at 760 mmHg
120.1±16.3 °C
1.458
Soluble in water. (82 g/L) at 25°C.
0.003mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38-21
36/37/39-26
Xn
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
(±)-2-Hydroxyisocaproic acid Use and Manufacturing
Pentanoic acid, 2-hydroxy-4-methyl-: ACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Flavoring Agents
Computed Properties
Molecular Weight:132.16
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:132.078644241
Monoisotopic Mass:132.078644241
Topological Polar Surface Area:57.5
Heavy Atom Count:9
Complexity:98.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of (±)-2-Hydroxyisocaproic acid
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