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Substance Name: 1-Acetonaphthone
RN: 941-98-0
UNII: U44R403XVS
InChIKey: QQLIGMASAVJVON-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C12-H10-O

Molecular Weight

  • 170.21
 
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Names and Synonyms

Name of Substance

  • 1-Acetonaphthone

Synonyms

  • 1-(1-Naphthalenyl)ethanone
  • 1-Acetonaphthalene
  • 1-Acetonaphthone
  • 1-Acetylnaphthalene
  • 1-Naphthyl methyl ketone
  • 4-07-00-01292 (Beilstein Handbook Reference)
  • AI3-00673
  • alpha-Acetonaphthone
  • alpha-Acetylnaphthalene
  • alpha-Naphthyl methyl ketone
  • BRN 1100618
  • EINECS 213-384-1
  • Methyl 1-naphthyl ketone
  • Methyl alpha-naphthyl ketone
  • NSC 7659
  • UNII-U44R403XVS

Systematic Names

  • 1'-Acetonaphthone
  • Ethanone, 1-(1-naphthalenyl)-

Registry Numbers

CAS Registry Number

  • 941-98-0

FDA UNII

  • U44R403XVS

System Generated Number

  • 0000941980

Structure Descriptors

InChI

1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3

InChIKey

QQLIGMASAVJVON-UHFFFAOYSA-N

Smiles

c12c(cccc1C(C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 755, 1982.
rat LD50 oral 1560mg/kg (1560mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 755, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 34 deg C   EXP
Boiling Point 297 deg C   EXP
log P (octanol-water) 2.850 (none)   EST
Water Solubility 226 mg/L 25 EST
Henry's Law Constant 9.58E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.98E-11 cm3/molecule-sec 25 EST

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