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Substance Name: 4-Chromanone
RN: 491-37-2
InChIKey: MSTDXOZUKAQDRL-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C9-H8-O2

Molecular Weight

  • 148.1602
 
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Names and Synonyms

Name of Substance

  • 4-Chromanone

Synonyms

  • 4-Chromanone
  • EINECS 207-736-3

Systematic Names

  • 4H-1-Benzopyran-4-one, 2,3-dihydro-
  • Chroman-4-one

Registry Numbers

CAS Registry Number

  • 491-37-2

System Generated Number

  • 0000491372

Structure Descriptors

InChI

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

InChIKey

MSTDXOZUKAQDRL-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)C(=O)CCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2647mg/kg (2647mg/kg) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0540641,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36.5 deg C   EXP
log P (octanol-water) 1.640 (none)   EST
Atmospheric OH Rate Constant 4.43E-11 cm3/molecule-sec 25 EST

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