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Sodium 3-hydroxybutyrate

Sodium 3-hydroxybutyrate structure

CAS No:
150-83-4
Formula:
C4H8O3.Na
Chemical Name:
Sodium 3-hydroxybutyrate
Synonyms:
Butanoic acid,3-hydroxy-,sodium salt (1:1);Butyric acid,3-hydroxy-,monosodium salt;Butanoic acid,3-hydroxy-,monosodium salt;Butyric acid,3-hydroxy-,sodium salt;Sodium β-hydroxybutyrate;β-Hydroxybutyric acid sodium salt;Sodium 3-hydroxybutyrate;Sodium dl-β-hydroxybutyrate;DL-β-Hydroxybutyric acid sodium salt;306-31-0
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.

Sodium 3-hydroxybutyrate Basic Attributes

Molecular Weight：

126.09

Exact Mass：

126.029289

EC Number：

205-774-5

DSSTox ID：

DTXSID40857737

HScode：

2918199090

Characteristics

PSA：

60.4

XLogP3：

-1.49280

Melting Point：

160 °C @ Solvent: Ethanol

Boiling Point：

269.2°C at 760 mmHg

Flash Point：

121ºC

Storage Conditions：

2-8ºC

Vapor Pressure：

0.000979mmHg at 25°C

Collision Cross Section：

137.1 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

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

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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