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Substance Name: 2-Ethylanthraquinone
RN: 84-51-5
UNII: 59YJ81QZKD
InChIKey: SJEBAWHUJDUKQK-UHFFFAOYSA-N

Molecular Formula

  • C16-H12-O2

Molecular Weight

  • 236.269
 
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Names and Synonyms

Name of Substance

  • 2-Ethylanthraquinone

Synonyms

  • 2-Ethyl-9,10-anthraquinone
  • 2-Ethylanthraquinone
  • 4-07-00-02583 (Beilstein Handbook Reference)
  • AI3-17614
  • Anthraquinone, 2-ethyl-
  • beta-Ethylanthraquinone
  • BRN 1969873
  • EC 201-535-4
  • EINECS 201-535-4
  • NSC 7216
  • UNII-59YJ81QZKD
  • USAF SO-1

Systematic Names

  • 2-Ethylanthraquinone
  • 9,10-Anthracenedione, 2-ethyl-
  • Anthraquinone, 2-ethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 84-51-5

FDA UNII

  • 59YJ81QZKD

System Generated Number

  • 0000084515

Structure Descriptors

InChI

1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3

InChIKey

SJEBAWHUJDUKQK-UHFFFAOYSA-N

Smiles

c12c(C(c3ccccc3C1=O)=O)ccc(c2)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 skin > 20gm/kg (20000mg/kg)   National Technical Information Service. Vol. OTS0534314,
rat LD50 oral 2795mg/kg (2795mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0534314,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108-111 deg C   EXP
log P (octanol-water) 4.37 (none)   EXP
Water Solubility 0.405 mg/L 25 EST
Vapor Pressure 1.02E-06 mm Hg 25 EST
Henry's Law Constant 4.66E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.71E-12 cm3/molecule-sec 25 EST

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