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Substance Name: Methyl coumarin
RN: 92-48-8
UNII: EHP8W0L01A
InChIKey: FXFYOPQLGGEACP-UHFFFAOYSA-N

Note

  • Synthetic fragrance causing contact photoallergy.

Molecular Formula

  • C10-H8-O2

Molecular Weight

  • 160.1712
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • 6-Methylcoumarin
  • Methyl coumarin

Synonyms

  • 2H-1-Benzopyran-2-one, 6-methyl-
  • 5-17-10-00168 (Beilstein Handbook Reference)
  • 5-Methyl-2-hydroxyphenylpropenoic acid lactone
  • 6-MC
  • 6-Methyl-1,2-benzopyrone
  • 6-Methyl-2H-1-benzopyran-2-one
  • 6-Methyl-cis-O-coumarinic lactone
  • 6-Methylbenzopyrone
  • 6-Methylcoumarin
  • 6-Methylcoumarinic anhydride
  • AI3-02442
  • BRN 0004222
  • CCRIS 3593
  • Cocodescol
  • Coumarin, 6-methyl-
  • EINECS 202-158-8
  • FEMA No. 2699
  • HSDB 4360
  • Methyl coumarin
  • NCI-C55812
  • NSC 5870
  • Pralina
  • Toncair
  • Toncarine
  • UNII-EHP8W0L01A

Systematic Names

  • 2H-1-Benzopyran-2-one, 6-methyl-
  • 6-Methylcoumarin
  • Coumarin, 6-methyl-

Superlist Name

  • 6-Methylcoumarin

Registry Numbers

CAS Registry Number

  • 92-48-8

FDA UNII

  • EHP8W0L01A

System Generated Number

  • 0000092488

Structure Descriptors

InChI

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

InChIKey

FXFYOPQLGGEACP-UHFFFAOYSA-N

Smiles

c12c(oc(=O)cc2)ccc(c1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 253mg/kg (253mg/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 Cosmetics Toxicology. Vol. 14, Pg. 605, 1976.
rat LD50 oral 1680mg/kg (1680mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 605, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76.5 deg C   EXP
Boiling Point 304 deg C   EXP
log P (octanol-water) 2.060 (none)   EST
Atmospheric OH Rate Constant 1.49E-11 cm3/molecule-sec 25 EST

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