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DL-LEUCIC ACID

DL-LEUCIC ACID structure

CAS No:
498-36-2
Formula:
C6H12O3
Chemical Name:
DL-LEUCIC ACID
Synonyms:
Pentanoic acid, 2-hydroxy-4-methyl-;2-Hydroxy-4-methylvaleric acid, DL-leucic acid;Einecs 207-860-8;Einecs 233-677-8;2-HYDROXY-4-METHYLVALERIC ACID;DL-2-HYDROXYISOCAPROIC ACID (ALPHA);DL-2-HYDROXY-4-METHYLVALERIC ACID;DL-LEUCIC ACID
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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.

DL-LEUCIC ACID Basic Attributes

Molecular Weight：

132.16

Exact Mass：

132.16

EC Number：

207-860-8

TSCA：

TSCA listed

Color/Form：

White to Almost white

HScode：

2918199890

Characteristics

PSA：

57.53000

XLogP3：

0.71

Appearance：

Solid

Density：

1.097±0.06 g/cm3(Predicted)

Melting Point：

78-80 °C(lit.)

Boiling Point：

251.3±13.0 °C(Predicted)

Flash Point：

120.1±16.3 °C

Refractive Index：

1.458

Water Solubility：

Soluble in water. (82 g/L) at 25°C.

Vapor Pressure：

0.003mmHg at 25°C

PKA：

3.86±0.21(Predicted)

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37/39-26

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

36/37/38-21

GHS Classification：

|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.

Drug Information

MeSH Entry Terms：

2-hydroxyisocaproic acid

DL-LEUCIC ACID Use and Manufacturing

Uses

2-Hydroxy-4-methylvaleric acid is used as nutrients, stabilizers, surfactants and emulsifiers.

Manufacturing Info：

Pentanoic acid, 2-hydroxy-4-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Food Additive Classes：

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

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