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2-Hydroxybutyric acid

2-Hydroxybutyric acid structure

CAS No:
600-15-7
Formula:
C4H8O3
Chemical Name:
2-Hydroxybutyric acid
Synonyms:
Butanoic acid,2-hydroxy-;Butyric acid,2-hydroxy-,DL-;Butanoic acid,2-hydroxy-,(±)-;2-Hydroxybutanoic acid;DL-α-Hydroxybutyric acid;DL-2-Hydroxybutanoic acid;DL-2-Hydroxybutyric acid;(±)-2-Hydroxybutyric acid;(±)-2-Hydroxy-n-butyric acid;(±)-2-Hydroxybutanoic acid;2-Hydroxybutyric acid;α-Hydroxy-n-butyric acid;α-Hydroxybutyric acid;α-Hydroxybutanoic acid;(±)-α-Hydroxybutyric acid;(RS)-2-Hydroxybutyric acid;NSC 6495;565-70-8

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.

2-Hydroxybutyric acid Basic Attributes

Molecular Weight：

104.104

Exact Mass：

104.10

EC Number：

209-985-3

NSC Number：

6495

DSSTox ID：

DTXSID8041903

HScode：

2918199090

Characteristics

PSA：

57.53000

XLogP3：

-0.17

Density：

1.2±0.1 g/cm3

Melting Point：

44.2 °C

Boiling Point：

104-106 °C @ Press: 20 Torr

Flash Point：

112.2±16.3 °C

Refractive Index：

1.455

Collision Cross Section：

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

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H315

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

2-Hydroxybutyric acid Use and Manufacturing

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 2-Hydroxybutyric acid

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

2-Hydroxybutyric acid

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