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Substance Name: Melilotin
RN: 119-84-6
UNII: NM5K1Y1BT2
InChIKey: VMUXSMXIQBNMGZ-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C9-H8-O2

Molecular Weight

  • 148.1602
 
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Names and Synonyms

Results Name

  • Melilotin

Name of Substance

  • 2H-1-Benzopyran-2-one, 3,4-dihydro-
  • 3,4-Dihydro-2H-1-benzopyran-2-one
  • 3,4-Dihydrocoumarin
  • Dihydrocoumarin

Synonyms

  • 1,2-Benzodihydropyrone
  • 2-Chromanone
  • 2-Hydroxydihydrocinnamic acid lactone
  • 2H-1-Benzopyran-2-one, 3,4-dihydro-
  • 3,4-Dihydro-2H-1-benzopyran-2-one
  • 3,4-Dihydrocoumarin
  • 3,4-Dyhydrocoumarin
  • 5-17-10-00013 (Beilstein Handbook Reference)
  • AI3-03425
  • Benzodihydropyrone
  • Benzopyranone, dihydro-
  • BRN 0004584
  • CCRIS 5803
  • Chroman, 2-oxo-
  • Coumarin, 3,4-dihydro-
  • Dihydrobenzopyrone
  • Dihydrocoumarin
  • EINECS 204-354-9
  • FEMA No. 2381
  • HSDB 4333
  • Hydrocinnamic acid, o-hydroxy-, delta-lactone
  • Hydrocoumarin
  • Hydroxydihydrocinnamic acid lactone, o-
  • Melilotic acid lactone
  • Melilotic lactone
  • Melilotin
  • Melilotine
  • Melilotol
  • NCI-C55890
  • NSC 10121
  • O-Hydroxycinnamic acid
  • Oxochroman
  • UNII-NM5K1Y1BT2
  • USAF DO-12

Systematic Names

  • 2H-1-Benzopyran-2-one, 3,4-dihydro-
  • 3,4-Dihydrocoumarin
  • Hydrocoumarin

Superlist Names

  • 3,4-Dihydrocoumarin
  • Hydrocoumarin

Registry Numbers

CAS Registry Number

  • 119-84-6

FDA UNII

  • NM5K1Y1BT2

Other Registry Number

  • 1341-36-2

System Generated Number

  • 0000119846

Structure Descriptors

InChI

1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2

InChIKey

VMUXSMXIQBNMGZ-UHFFFAOYSA-N

Smiles

c12c(CCC(=O)O1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1760mg/kg (1760mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 521, 1974.
rat LD50 oral 1460mg/kg (1460mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25 deg C   EXP
Boiling Point 272 deg C   EXP
log P (octanol-water) 0.970 (none)   EST
Water Solubility 3000 mg/L 37 EXP
Atmospheric OH Rate Constant 5.06E-12 cm3/molecule-sec 25 EST

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