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Substance Name: Umbellulone
RN: 24545-81-1
InChIKey: LTTVJAQLCIHAFV-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.2196
 
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Names and Synonyms

Results Name

  • Umbellulone

Synonyms

  • 0-07-00-00159 (Beilstein Handbook Reference)
  • 4-Methyl-1-(1-methylethyl)-bicyclo(3.1.0)hex-3-en-2-one
  • Bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)-
  • BRN 2042730
  • NSC 22046
  • THUJEN-2-ONE
  • Umbellulon
  • Umbellulone

Systematic Names

  • 3-Thujen-2-one
  • Bicyclo(3.1.0)hex-3-en-2-one, 4-methyl-1-(1-methylethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 24545-81-1

System Generated Number

  • 0024545811

Structure Descriptors

InChI

1S/C10H14O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8H,5H2,1-3H3

InChIKey

LTTVJAQLCIHAFV-UHFFFAOYSA-N

Smiles

O=C1C=C(C)[C@@H]2[C@@]1(C2)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1450mg/kg (1450mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 22, Pg. 777, 1974.
mouse LD50 subcutaneous 965mg/kg (965mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: ANTICONVULSANT
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 77, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 220 deg C   EXP
log P (octanol-water) 2.850 (none)   EST
Atmospheric OH Rate Constant 8.65E-11 cm3/molecule-sec 25 EST

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