CAS No.306-31-0,DL-3-HYDROXYBUTYRIC ACID SODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	306-31-0
Name:	DL-3-HYDROXYBUTYRIC ACID SODIUM SALT

Formula:	C₄H₇NaO₃
Molecular Weight:	126.09
Synonyms:	DL-beta-Hydroxybutyric acid sodium salt;b-Hydroxybutyric acid sodium salt;butanoic acid, 3-hydroxy-, sodium salt (1:1);sodium 3-hydroxybutanoate;
EINECS:	205-774-5
Melting Point:	167-170 °C
Boiling Point:	269.2 °C at 760 mmHg
Flash Point:	121 °C
PSA:	60.36000
LogP:	-1.49280

Total:24 Page 1 of 1 1

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Specification

The Butanoic acid,3-hydroxy-, sodium salt (1:1), with the CAS registry number 306-31-0 and EINECS registry number 205-774-5, has the systematic name and IUPAC name of sodium 3-hydroxybutanoate. It belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. And the molecular formula of the chemical is C₄H₇NaO₃. What's more, it should be stored at 2-8°C.

The characteristics of Butanoic acid,3-hydroxy-, sodium salt (1:1) are as followings: (1)ACD/LogP: -1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.4; (4)ACD/LogD (pH 7.4): -4.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.53 Å²; (13)Flash Point: 121 °C; (14)Enthalpy of Vaporization: 58.91 kJ/mol; (15)Boiling Point: 269.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000979 mmHg at 25°C.

Uses of Butanoic acid,3-hydroxy-, sodium salt (1:1): It can react with bromomethyl-benzene to produce 3-hydroxy-butansaeure benzylester. This reaction will need menstruum acetonitrile. The reaction time is 2 days with heating, and the yield is about 88%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]C(=O)CC(O)C
(2)InChI: InChI=1/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
(3)InChIKey: NBPUSGBJDWCHKC-REWHXWOFAO