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Substance Name: 7-Methylcoumarin
RN: 2445-83-2
UNII: YCN83T03QU
InChIKey: DLHXRDUXNVEIEY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H8-O2

Molecular Weight

  • 160.171
 
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Names and Synonyms

Results Name

  • 7-Methylcoumarin

Name of Substance

  • 7-Methylcoumarin

Synonyms

  • 2H-1-Benzopyran-2-one, 7-methyl-
  • 5-17-10-00169 (Beilstein Handbook Reference)
  • 7-Methyl coumarin
  • 7-Methyl-2H-1-benzopyran-2-one
  • 7-Methylcoumarin
  • BRN 0122625
  • Coumarin, 7-methyl-
  • EINECS 219-499-3
  • NSC 19511
  • UNII-YCN83T03QU

Systematic Names

  • 2H-1-Benzopyran-2-one, 7-methyl-
  • 7-Methylcoumarin
  • Coumarin, 7-methyl-

Registry Numbers

CAS Registry Number

  • 2445-83-2

FDA UNII

  • YCN83T03QU

System Generated Number

  • 0002445832

Structure Descriptors

InChI

1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3

InChIKey

DLHXRDUXNVEIEY-UHFFFAOYSA-N

Smiles

c12c(cc(C)cc1)oc(=O)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 258mg/kg (258mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Yakugaku Zasshi. Journal of Pharmacy. Vol. 76, Pg. 186, 1956.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 747, 1982.
rat LD50 oral 3800mg/kg (3800mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 747, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 128 deg C   EXP
log P (octanol-water) 2.060 (none)   EST
Atmospheric OH Rate Constant 1.64E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.