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DL-2-Hydroxybutyric Acid

DL-2-Hydroxybutyric Acid structure

CAS No:
600-15-7
Formula:
C4H8O3
Chemical Name:
DL-2-Hydroxybutyric Acid
Synonyms:
dl-2-hydroxy-n-butyricacid(alpha-)(containspolymolecular);(±)-2-hydroxybutyric acid;DL-2-Hydroxybutyric Acid (contains Polymolecular esterification product);rac-(2R*)-2-Hydroxybutyric acid;DL-alpha-Hydroxybutyric acid;NSC 6495;(contains PolyMolecular esterification product);DL-2-Hydroxybutyric Acid

Description

2-Hydroxybutyric acid (α-Hydroxybutyric acid ) is converted from 2-Aminobutyric acid, with 2-oxobutyric acid as an intermediate metabolite[1].

2-hydroxybutyric acid is a hydroxybutyric acid having a single hydroxyl group located at position 2; urinary secretion of 2-hydroxybutyric acid is increased with alcohol ingestion or vigorous physical exercise and is associated with lactic acidosis and ketoacidosis in humans and diabetes in animals. It has a role as a human metabolite and an algal metabolite. It is a hydroxybutyric acid and a 2-hydroxy monocarboxylic acid. It derives from a butyric acid. It is a conjugate acid of a 2-hydroxybutyrate.

DL-2-Hydroxybutyric Acid Basic Attributes

Molecular Weight：

104.1

Exact Mass：

104.10

EC Number：

209-985-3

NSC Number：

6495

DSSTox ID：

DTXSID8041903

Color/Form：

White to Off-White

HScode：

2918199890

Characteristics

PSA：

57.53000

XLogP3：

-0.17

Density：

1.1250

Melting Point：

44 °C

Boiling Point：

260 °C

Flash Point：

112.2±16.3 °C

Refractive Index：

1.4298 (589.3 nm 20℃)

PKA：

pK1:3.65 (30°C)

Collision Cross Section：

124.67 Å² [M-H]- [CCS Type: DT, Method: stepped-field]

Critical Temperature & Pressure：

Refrigerator

Safety Information

wgk germany：

WGK 3

hazard class code：

safety instructions：

26-36/37/39-39

Marks：

Precautionary statement(s)：

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

Hazard Statements：

36/37/38-41-37/38

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-hydroxybutanoic acid

DL-2-Hydroxybutyric Acid Use and Manufacturing

Uses

2-Hydroxybutanoic Acid is an analyte used in the diagnoses of colorectal cancer as well as Type II diabetes. It is also used in the purification of the major Vibrio autoinducer and the study of its role in virulence factor production for cholera.

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Computed Properties

Molecular Weight:104.10
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:104.047344113
Monoisotopic Mass:104.047344113
Topological Polar Surface Area:57.5
Heavy Atom Count:7
Complexity:69.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of DL-2-Hydroxybutyric Acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

DL-2-Hydroxybutyric Acid

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