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Sodium dehydroacetate

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Name

Sodium dehydroacetate

EINECS 224-580-1
CAS No. 4418-26-2 Density 1.499[at 20℃]
PSA 70.34000 LogP 1.29460
Solubility Soluble in water Melting Point ~295 °C (dec.)
Formula C8H7NaO4 Boiling Point 332.6oC at 760 mmHg
Molecular Weight 190.14 Flash Point 150.6oC
Transport Information N/A Appearance White to yellowish powder
Safety 24/25 Risk Codes 22
Molecular Structure Molecular Structure of 4418-26-2 (Sodium dehydroacetate) Hazard Symbols HarmfulXn
Synonyms

2H-Pyran-2,4(3H)-dione,3-acetyl-6-methyl-,ion(1-),sodium;Sodium dehydroacetate(Na DHA);

 

Sodium dehydroacetate Consensus Reports

Sodium dehydroacetate(4418-26-2) has been reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Sodium dehydroacetate Specification

The Sodium dehydroacetate, with the CAS registry number 4418-26-2, is also known as 2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, ion(1-), sodium. Its EINECS registry number is 224-580-1. Its IUPAC name is called 224-580-1. It is a compound with formula C8H7NaO4. It is the sodium salt of dehydroacetic acid. It has E number "E266". What's more, this chemical's classification codes are Agricultural Chemical; Fungicide, Bactericide, Wood Preservative; Mutation Data; Pharmaceutic Aid [Antimicrobial Preservative]; Reproductive Effect; Skin / Eye Irritant. When you are using this chemical, please be cautious about it. It may cause damage to health. In addition, it is harmful if swallowed.

Physical properties of Sodium dehydroacetate: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 5; (3)Rotatable Bond Count: 1; (4)Tautomer Count: 6; (5)Exact Mass: 190.024203; (6)MonoIsotopic Mass: 190.024203; (7)Topological Polar Surface Area: 60.4; (8)Heavy Atom Count: 13; (9)Formal Charge: 0; (10)Complexity: 293; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.

Preparation of Sodium dehydroacetate: This chemical can be prepared by dehydrogenation acetic acid and sodium hydroxide.

Uses of Sodium dehydroacetate: It is used in the food industry as preservative for fruits, vegetables, fruit juice, honey, beer, milk, protein and fat products; in human and veterinary medicine as bactericide and fungicide.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=O)[C-](C(=O)O1)C(=O)C.[Na+]
(2)InChI: InChI=1S/C8H7O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3H,1-2H3;/q-1;+1
(3)InChIKey: YIOCQGHBBNGBND-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 400mg/kg (400mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 69, 1950.
dog LDLo oral 452mg/kg (452mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 69, 1950.
mouse LD50 oral 1050mg/kg (1050mg/kg)   Journal of the American College of Toxicology. Vol. 4(3), Pg. 123, 1985.
rabbit LD50 oral 500mg/kg (500mg/kg)   Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 02JUN1980,
rat LD50 oral 500mg/kg (500mg/kg)   Journal of the American College of Toxicology. Vol. 4(3), Pg. 123, 1985.

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