Sodium heptanoate supplier | CasNO.10051-45-3

Name
ENANTHIC ACID SODIUM SALT
EINECS 233-180-6
CAS No. 10051-45-3
Density 1.204 g/cm3
Solubility Soluble in water
Melting Point 350 °C
Formula C₇H₁₃NaO₂
Boiling Point 222.6 °C at 760 mmHg
Molecular Weight 152.169
Flash Point 99.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Enanthic acid sodium salt;
PSA 40.13000
LogP 0.70670

Sodium heptanoate Specification

The Sodium heptanoate, with the CAS registry number 10051-45-3, is also known as Enanthic acid sodium salt. Its EINECS registry number is 233-180-6. This chemical's molecular formula is C₇H₁₃NaO₂ and molecular weight is 152.17. What's more, its IUPAC name is Sodium heptanoate. During using it, you should avoid contacting with skin and eyes.

Physical properties about Sodium heptanoate are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 5.99; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.54; (8)ACD/KOC (pH 7.4): 1.2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12) Polar Surface Area: 37.3 Å²; (13)Flash Point: 99.2 °C; (14)Enthalpy of Vaporization: 48.52 kJ/mol; (15)Boiling Point: 222.6 °C at 760 mmHg; (16)Vapour Pressure: 0.0578 mmHg at 25 °C.

Uses of Sodium heptanoate: it is used to produce other chemicals. For example, it is used to produce Heptanoic acid 3-oxo-1, 3-dihydro-isobenzofuran-1-yl ester. This reaction needs reagents PdCl₂(PPh₃)₂, PPh₃. Meanwhile, it needs solvent Acetonitrile. The reaction time is 18 hours with reaction temperature of 80 °C. The yield is about 67 %.

Sodium heptanoate can react with Carbon monoxide and 2-Bromo-benzaldehyde to get Heptanoic acid 3-oxo-1, 3-dihydro-isobenzofuran-1-yl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: [Na+].[O-]C(=O)CCCCCC
(2) InChI: InChI=1/C7H14O2.Na/c1-2-3-4-5-6-7(8)9;/h2-6H2,1H3,(H,8,9);/q;+1/p-1
(3) InChIKey: NMTDPTPUELYEPL-REWHXWOFAK

Product Name

ENANTHIC ACID SODIUM SALT

Sodium heptanoate Specification

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