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| CAS No.: | 7486-38-6 |
|---|---|
| Name: | ADIPIC ACID DISODIUM SALT |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C6H8Na2O4 |
| Molecular Weight: | 190.107 |
| 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; |
| EINECS: | 231-293-5 |
| Boiling Point: | 338.5 °C at 760 mmHg |
| Flash Point: | 172.7 °C |
| Solubility: | almost transparency |
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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. |