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Substance Name: Azulene, 1,4-dimethyl-7-(1-methylethyl)-
RN: 489-84-9
UNII: 2OZ1K9JKQC
InChIKey: FWKQNCXZGNBPFD-UHFFFAOYSA-N

Molecular Formula

  • C15-H18

Molecular Weight

  • 198.307
 
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Names and Synonyms

Name of Substance

  • 1,4-Dimethyl-7-(1-methylethyl)azulene
  • Azulene, 1,4-dimethyl-7-(1-methylethyl)-
  • Guaiazulene

Synonyms

  • 1,4-Dimethyl-7-isopropylazulene
  • 3,8-Dimethyl-5-(2-propyl)azulene
  • 4-05-00-01751 (Beilstein Handbook Reference)
  • 7-Isopropyl-1,4-dimethylazulene
  • Azulen-beris
  • Azulene, 1,4-dimethyl-7-(1-methylethyl)-
  • Azulene, 1,4-dimethyl-7-isopropyl-
  • Azulon
  • Azunol
  • BRN 1365001
  • Cuteazul
  • EINECS 207-701-2
  • Eucazulen
  • Guaiazulene
  • Guajazulene
  • Guiazulene
  • Gurjunazulen
  • Kessazulen
  • NSC 4714
  • Purazulen
  • S-Guaiazulene
  • Silazulon
  • UNII-2OZ1K9JKQC
  • Uroazulen
  • Vetivazulen

Systematic Names

  • 7-Isopropyl-1,4-dimethylazulene
  • Azulene, 1,4-dimethyl-7-(1-methylethyl)-
  • Azulene, 1,4-dimethyl-7-isopropyl-
  • Azulene, 7-isopropyl-1,4-dimethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 489-84-9

FDA UNII

  • 2OZ1K9JKQC

Other Registry Number

  • 12040-47-0

System Generated Number

  • 0000489849

Structure Descriptors

InChI

InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3

InChIKey

FWKQNCXZGNBPFD-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(C)c2ccc(C)c2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 525mg/kg (525mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA		 Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 362, 1958.
mouse LD50 oral 1220mg/kg (1220mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 54, Pg. 362, 1958.
rat LD50 oral 1550mg/kg (1550mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 615, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 31.5 deg C   EXP
log P (octanol-water) 5.930 (none)   EST
Atmospheric OH Rate Constant 3.43E-10 cm3/molecule-sec 25 EST

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