beta-thujone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
InChI :InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3
InChIKey :USMNOWBWPHYOEA-UHFFFAOYAV
SMILES :CC1C2CC2(CC1=O)C(C)C
(EINECS) number :214-405-7
cas number :1125-12-8
molar refractivity :44.32 ± 0.3 cm3
parachor :366.8 ± 6.0 cm3
index of refraction :1.499 ± 0.02
surface tension :34.9 ± 3.0 dyne/cm
density :1.009 ± 0.06 g/cm3
polarizability :17.57 ± 0.5 10-24cm3
xlogp : 2.40
molecular weight : 152.2334400
formula :C10 H16 O
 
 
export tariff code :2914.29.5000
fda reg :unspecified
 
 
organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		cedarleaf
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92500 @ 25.00 °C.
boiling point : 200.00 - 201.00 °C. @ 760.00 mm Hg
boiling point : 113.00 - 114.00 °C. @ 50.00 mm Hg
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 148.00  °F.  TCC  ( 64.44 °C. )
  
recommendation for beta-thujone usage levels up to :
  0.2000 % in the fragrance concentrate.
  
safety links :
(EINECS) number :214-405-7
chemidplus :001125128
epa-srs :1125-12-8
dtp/nci :407281
  
EPI System :Click here
other :
 
references :
pubchem :668249
NIST Chemistry WebBook :3480046274
  
synonyms :
 chrysanthone
4-methyl-1-(1-methyl ethyl) bicyclo(3.1.0)hexan-3-one
1-isopropyl-4-methyl bicyclo(3.1.0)hexan-3-one
 tanacetone
3-thujanone
(-)-thujone
beta-thujone
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 cedarleaf
 tansy tanaisie
 wormwood absinthium
natural occurrence in :
data pagearmoise oil morocco @ 20.1%
data pageartemisia campestris spp. glutinosa flower oil italy @ trace%
data pageartemisia gypsacea krasch. oil iran @ 28.40%
data pageartemisia vestita wall. flower oil @ 1.50%
data pageartemisia vestita wall. leaf oil @ 2.70%
data pageboldo leaf oil italy @ trace%
data pageboldus leaf oil chile @ 7.15%
data pagecedarleaf oil canada @ 8.50-12.20%
data pagecostmary oil @ 0.19%
data pagecymbopogon citratus (dc.) stapf. oil cuba @ 0.20%
data pageeucalyptus camaldulensis dehnh. leaf oil ethiopia @ 0.60%
data pageeucalyptus deaneti maiden leaf oil ethiopia @ 0.10%
data pagehyssop oil CO2 extract @ trace%
data pagelaurel leaf oil turkey @ trace%
data pagelayana oil wild zimbabwe @ trace%
data pagerosemary oil egypt @ 0.93%
data pagesage oil albania @ 9.70%
data pagesage oil cuba @ 10.89%
data pagesage oil dalmatian @ 6.40%
data pagesage oil england @ 6.40%
data pagesage oil france @ 15.40%
data pagesage oil germany @ 25.54%
data pagesage oil hydrodistillation france @ 3.70%
data pagesage oil lithuania @ 13.43%
data pagesage oil reunion @ 8.40%
data pagesage oil sardinia @ 3.80%
data pagesage oil spain @ 4.30%
data pagesavin oil @ 1.10%
data pagetansy flower oil canada @ 11.64%
data pagetansy flower oil dutch @ 76.00%
data pagetansy leaf oil dutch @ 67.90%
data pagetansy oil argentina @ 91.65%
data pagetansy oil canada @ 49.50%
data pagethyme oil red spain @ 0.00-0.15%
data pagethymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ trace%
data pagewormwood oil america @ 33.11%
data pagewormwood oil cuba @ 0.29%
data pagewormwood oil italy @ 18.2%
data pagewormwood oil poland @ 16.91%
data pageyarrow oil greece @ 0.20%



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