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DL-3-Hydroxybutyric acid monosodium salt

DL-3-Hydroxybutyric acid monosodium salt structure

CAS No:
150-83-4
Formula:
C4H8O3.Na
Chemical Name:
DL-3-Hydroxybutyric acid monosodium salt
Synonyms:
(+/-)-3-HYDROXYBUTYRIC ACID SODIUM SALT;3-HYDROXYBUTYRIC ACID SODIUM SALT;DL-B-HYDROXYBUTYRIC ACID SODIUM*CRYSTALL INE;B-HydroxybutyricAcidSodiumSalt;Butanoic acid, 3-hydroxy-, monosodium salt;dl-β-hydroxybutyric acid sodium salt;DL-B-HYDROXYBUTYRICACIDSODIUMSALT;Sodium 3-hydroxyburyrate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Sodium 3-hydroxybutyrate is an organic sodium salt resulting from the replacement of the proton from the carboxy group of 3-hydroxybutyric acid by a sodium ion. It has a role as a human metabolite. It contains a 3-hydroxybutyrate.

white crystalline powder

DL-3-Hydroxybutyric acid monosodium salt Basic Attributes

Molecular Weight：

127.09

Exact Mass：

126.029289

BRN：

4824866

EC Number：

205-774-5

DSSTox ID：

DTXSID40857737

Color/Form：

White

HScode：

29181990

Characteristics

PSA：

60.4

XLogP3：

-1.49280

Melting Point：

167-170 °C

Boiling Point：

269.2°C at 760 mmHg

Flash Point：

121ºC

Water Solubility：

water: 1g/10 mL, clear, colorless

Storage Conditions：

2-8ºC

Vapor Pressure：

0.000979mmHg at 25°C

Collision Cross Section：

137.1 Å² [M-H]-

Critical Temperature & Pressure：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

RTECS Number：

205-774-5

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

DL-3-Hydroxybutyric acid monosodium salt Use and Manufacturing

Optically active 3-hydroxybutyric acids are key intermediates of the biosynthesis and metabolism of fatty acids and exist widely in biological systems.

DL-3-Hydroxybutyric acid sodium salt has been used in a study to understand the effect of butyrate on fibroblast growth factor 21 (FGF21), which is involved in fatty acid -oxidation in liver. It may be used in the preparation of poly(3-hydroxybutyrate).

Computed Properties

Molecular Weight:126.09
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:126.02928836
Monoisotopic Mass:126.02928836
Topological Polar Surface Area:60.4
Heavy Atom Count:8
Complexity:73.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of DL-3-Hydroxybutyric acid monosodium salt

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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