CAS 4418-26-2|Dehydroacetic acid sodium

Introduction:Basic information about CAS 4418-26-2|Dehydroacetic acid sodium, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameDehydroacetic acid sodium
CAS Number4418-26-2Molecular Weight190.128
Density/Boiling Point332.6ºC at 760 mmHg
Molecular FormulaC8H7NaO4Melting Point~295 °C (dec.)
MSDSChineseUSAFlash Point150.6ºC
Symbol
GHS07
Signal WordWarning

Names

NameSodium dehydroacetate
SynonymMore Synonyms

Dehydroacetic acid sodium BiologicalActivity

DescriptionDehydroacetic acid sodium, a pyrone derivative acts as an antibacterial and antifungal agent. Dehydroacetic acid possess phytotoxic activity[1].
Related CatalogResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>FungalSignaling Pathways >>Anti-infection >>Bacterial
References

[1]. Baldwin AG, et al. Synthesis and antibacterial activities of enamine derivatives of dehydroacetic acid. Med Chem Res. 2018;27(3):884-889.

Chemical & Physical Properties

Boiling Point332.6ºC at 760 mmHg
Melting Point~295 °C (dec.)
Molecular FormulaC8H7NaO4
Molecular Weight190.128
Flash Point150.6ºC
Exact Mass190.024200
PSA70.34000
LogP1.29460
StabilityStable. Incompatible with strong oxidizing agents.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP8225000
CHEMICAL NAME :
2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-, sodium salt
CAS REGISTRY NUMBER :
4418-26-2
LAST UPDATED :
199701
DATA ITEMS CITED :
17
MOLECULAR FORMULA :
C8-H7-O4.Na
MOLECULAR WEIGHT :
190.14
WISWESSER LINE NOTATION :
T6OV DV CHJ CV1 F1 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1050 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
452 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - ataxia Gastrointestinal - nausea or vomiting
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
6786 mg/kg/26D-I
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
600 mg/kg
SEX/DURATION :
female 6-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
2500 mg/L
REFERENCE :
GMCRDC Gann Monograph on Cancer Research. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No. 11- 1971- Volume(issue)/page/year: 27,95,1981 *** REVIEWS *** TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(3),123,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2427 No. of Facilities: 130 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 130 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard CodesXn:Harmful
Risk PhrasesR22
RIDADRNONH for all modes of transport
WGK Germany1
RTECSUP8225000
HS Code29322980

Customs

HS Code29322980

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Synonyms

harven
Dehydroacetic acid sodium salt
MFCD00040583
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone sodium salt
EINECS 224-580-1
New Side S 01
Sodium Dehydroacetic Acid
dhn
NaDHA
Sodium 1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethanolate
prevan
2H-Pyran-2,4(3H)-dione, 3-(1-hydroxyethylidene)-6-methyl-, sodium salt (1:1)
dha-sodium
dehydroacetic
Sodium dehydroacetat
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