4-Methylcumarin

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Names

[ CAS No. ]:
607-71-6

[ Name ]:
4-Methylcumarin

[Synonym ]:
4-methyl-2H-2-chromenone
4-Methyl-2H-1-benzopyran-2-one
4-Methylcumarin
EINECS 210-141-1
4-Methyl-2H-chromen-2-one
COUMARIN,4-METHYL
2H-1-Benzopyran-2-one,4-methyl
4-Methyl-chromen-2-one
4-methyl-coumarin

Chemical & Physical Properties

[ Density]:
1.185 g/cm3

[ Boiling Point ]:
296.9ºC at 760 mmHg

[ Melting Point ]:
81 °C

[ Molecular Formula ]:
C10H8O2

[ Molecular Weight ]:
160.16900

[ Flash Point ]:
120.6ºC

[ Exact Mass ]:
160.05200

[ PSA ]:
30.21000

[ LogP ]:
2.10140

[ Index of Refraction ]:
1.572

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN7791000
CHEMICAL NAME :
Coumarin, 4-methyl-
CAS REGISTRY NUMBER :
607-71-6
BEILSTEIN REFERENCE NO. :
0121648
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H8-O2
MOLECULAR WEIGHT :
160.18
WISWESSER LINE NOTATION :
T66 BOVJ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1691 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 83,1124,1963
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1088 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 76,186,1956 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1121 mg/kg/7D-I
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other hydrolases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 16,626,1970 *** REVIEWS *** TOXICOLOGY REVIEW PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 10,85,1974

Safety Information

[ HS Code ]:
2932209090

Synthetic Route

Precursor & DownStream

Precursor

  • Ethyl acetoacetate
  • Phenol
  • carbon monoxide
  • 2-Isopropenylphenol
  • Phenylacetylene
  • 4-methyl-2-oxo-2H-chromen-7-yl trifluoromethanesulfonate
  • phenyl tetrolate
  • Methyl (2E)-2-butenoate
  • Methyl 4-hydroxy-3-iodobenzoate

DownStream

  • 4-methyl-6-nitrochromen-2-one
  • Coumarin
  • tetrafluoro-l4-borane, 2-methoxy-4-methyl-2H-chromenylium salt
  • 4-methylchromene-2-thione
  • 2-(2-hydroxyphenyl)-1h-benzimidazole
  • 7-Methoxy-4-methylcoumarin
  • DPC
  • 3,5-Dibromosalicylic acid
  • 4-Methylumbelliferone
  • 6-hydroxy-4-methylycoumarin

Customs

[ HS Code ]: 2932209090

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


Related Compounds

  • 3-Acetyl-4-methylcumarin
  • 7-Cinnamyloxy-4-methylcumarin
  • 8-Aza-7-hydroxy-4-methylcumarin
  • 6-Ethyl-7-hydroxy-4-methylcumarin
  • 7-amino-4-methylcumarin-3-acetic acid
  • 7-Hydroxy-3-isopropyl-4-methylcumarin