CAS 520-45-6|Dehydroacetic acid

Introduction:Basic information about CAS 520-45-6|Dehydroacetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameDehydroacetic acid
CAS Number520-45-6Molecular Weight168.147
Density1.3±0.1 g/cm3Boiling Point332.6±42.0 °C at 760 mmHg
Molecular FormulaC8H8O4Melting Point111-113 °C(lit.)
MSDSChineseUSAFlash Point150.5±27.9 °C
Symbol
GHS07
Signal WordWarning

Names

NameDehydroacetic acid
SynonymMore Synonyms

Dehydroacetic acid BiologicalActivity

DescriptionDehydroacetic acid is an organic compound, classified as a pyrone derivative and is used mostly as a fungicide and bactericide.
Related CatalogSignaling Pathways >>Anti-infection >>BacterialSignaling Pathways >>Anti-infection >>FungalResearch Areas >>Infection

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point332.6±42.0 °C at 760 mmHg
Melting Point111-113 °C(lit.)
Molecular FormulaC8H8O4
Molecular Weight168.147
Flash Point150.5±27.9 °C
Exact Mass168.042252
PSA60.44000
LogP0.35
Vapour Pressure0.0±0.7 mmHg at 25°C
Index of Refraction1.490
InChIKeyPGRHXDWITVMQBC-UHFFFAOYSA-N
SMILESCC(=O)C1C(=O)C=C(C)OC1=O
StabilityStable. Incompatible with oxidizing agents, bases, reducing agents.

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP8050000
CHEMICAL NAME :
2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
CAS REGISTRY NUMBER :
520-45-6
BEILSTEIN REFERENCE NO. :
0006129
LAST UPDATED :
199710
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C8-H8-O4
MOLECULAR WEIGHT :
168.16
WISWESSER LINE NOTATION :
T6OV DV CHJ CV1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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
REFERENCE :
WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71. Discontinued. Volume(issue)/page/year: 9,119,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1330 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SKEZAP Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. (Nippon Shokuhin Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo 150, Japan) V.1- 1960- Volume(issue)/page/year: 12,520,1971
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1186 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,98,1950
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
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 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2100 mg/kg/11D-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,57,1950
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
36400 mg/kg/2Y-C
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - chronic pulmonary edema Liver - changes in liver weight Nutritional and Gross Metabolic - other changes
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,57,1950
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
3300 mg/kg/18D-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
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 99,57,1950 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
592 mg/kg/37W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
BJCAAI British Journal of Cancer. (Macmillan Press Ltd., Houndmills, Basingstoke, Hants. RG21 2XS, UK) V.1- 1947- Volume(issue)/page/year: 20,134,1966 *** 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 : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1243 No. of Facilities: 28 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1288 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1243 No. of Facilities: 83 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 925 (estimated) No. of Female Employees: 679 (estimated)

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302
Precautionary StatementsP301 + P312 + P330
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard CodesXn:Harmful;
Risk PhrasesR22
Safety PhrasesS22
RIDADRNONH for all modes of transport
WGK Germany1
RTECSUP8050000
Packaging GroupII; III
Hazard Class4.1
HS Code29322980

Customs

HS Code2932999099
Summary2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Synonyms

DEHYDRACETSAEURE
DEHYDRACETIC ACID
dehydro-aceticaci
EINECS 212-227-4
2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone
Geogard(R) 361
Geogard(R) 221
dhaa
3-Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
2H-Pyran-2,4(3H)-dione, 3-acetyl-6-methyl-
Geogard(R) 111A
Dehydroacetic Acid
MFCD00066709
3-acetyl-6-methyl-(2H)-pyran-2,4(3H)dione
DEHYDRANONE
DHA
Methylacetopyronone
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