Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | Xn | |
Synonyms |
2H-Pyran-2,4(3H)-dione,3-acetyl-6-methyl-,ion(1-),sodium;Sodium dehydroacetate(Na DHA); |
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. |