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Hexanedioic acid, disodium salt

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Name

Hexanedioic acid, disodium salt

EINECS 231-293-5
CAS No. 7486-38-6 Density N/A
PSA N/A LogP N/A
Solubility almost transparency Melting Point N/A
Formula C6H8Na2O4 Boiling Point 338.5 °C at 760 mmHg
Molecular Weight 190.107 Flash Point 172.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 7486-38-6 (ADIPIC ACID DISODIUM SALT) Hazard Symbols N/A
Synonyms

1,4-Butanedicarboxylic acid disodium salt;Disodium hexanedioate;Adipic acid, disodium salt;Sodium adipate;124-04-9;Disodium adipate;1,4-Butanedicarboxylic acid disodium salt;

Article Data 1

Hexanedioic acid, disodium salt Specification

The Hexanedioic acid, disodium salt, with the CAS registry number 7486-38-6, is also known as 1,4-Butanedicarboxylic acid disodium salt. Its EINECS registry number is 231-293-5. This chemical's molecular formula is C6H8Na2O4 and molecular weight is 190.1. What's more, both its IUPAC name and systematic name are the same which is called Disodium hexanedioate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Hexanedioic acid, disodium salt are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): -4.54; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 74.6 Å2; (13)Flash Point: 172.7 °C; (14)Enthalpy of Vaporization: 63.95 kJ/mol; (15)Boiling Point: 338.5 °C at 760 mmHg; (16)Vapour Pressure: 1.81E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CCCCC(=O)[O-]
(2)InChI: InChI=1/C6H10O4.2Na/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
(3)InChIKey: KYKFCSHPTAVNJD-NUQVWONBAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4gm/kg (4000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 40, Pg. 129, 1967.

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