Scoparone

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Names

[ CAS No. ]:
120-08-1

[ Name ]:
Scoparone

[Synonym ]:
MFCD00006871
6,7-Dimethoxy-chromen-2-one
Scoparone
EINECS 204-369-0
Dimethylesculetin
6,7-dimethoxychromen-2-one
6,7-Dimethoxy-2H-chromen-2-one
2H-1-Benzopyran-2-one, 6,7-dimethoxy-

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
369.2±42.0 °C at 760 mmHg

[ Melting Point ]:
145°C

[ Molecular Formula ]:
C11H10O4

[ Molecular Weight ]:
206.195

[ Flash Point ]:
166.8±27.9 °C

[ Exact Mass ]:
206.057907

[ PSA ]:
48.67000

[ LogP ]:
1.60

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.557

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN6550000
CHEMICAL NAME :
Coumarin, 6,7-dimethoxy-
CAS REGISTRY NUMBER :
120-08-1
BEILSTEIN REFERENCE NO. :
0169572
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C11-H10-O4
MOLECULAR WEIGHT :
206.21
WISWESSER LINE NOTATION :
T66 BOVJ HO1 IO1

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 :
292 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 3,550,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
190 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 3,550,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 3,550,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - alteration of classical conditioning Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
IJMRAQ Indian Journal of Medical Research. (Indian Council of Medical Research, Ansari Nagar, New Delhi 110 029, India) V.1- 1913- Volume(issue)/page/year: 60,763,1972 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1180 mg/kg
SEX/DURATION :
male 8 week(s) pre-mating female 2 week(s) pre-mating - 3 week(s) post-birth
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Effects on Newborn - delayed effects
REFERENCE :
IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 17,740,1979
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
725 mg/kg
SEX/DURATION :
female 15-22 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 17,740,1979

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H319

[ Precautionary Statements ]:
P301 + P310-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S27/28-S36/37/39-S45-S26

[ RIDADR ]:
2811

[ RTECS ]:
GN6550000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2932209090

Synthetic Route

Precursor & DownStream

Precursor

  • 6,7-Dihydroxycoumarin
  • Dimethyl sulfate
  • methyl iodide
  • 3,4-Dimethoxyphenol
  • 5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
  • Z-4,5-dimethoxy-2-prenyloxycinnamic acid
  • 2-(4,5-dimethoxy-2-nitrobenzylidene)malonic acid
  • 2-hydroxy-4,5-dimethoxybenzaldehyde
  • Ethyl 2-(triphenylphosphoranylidene)acetate

DownStream

  • Scopoletin
  • 3-(2,4,5-Trimethoxyphenyl)acrylic acid
  • 3-(2-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid
  • 6,7-dimethoxy-3,4-dihydrochromen-2-one
  • Suberosin

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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