sedanolide
 
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IUPAC name :3-(2-methylpropyl)-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one
InChI :InChI=1/C12H18O2/c1-8(2)7-11-9-5-3-4-6-10(9)12(13)14-11/h6,8-9,11H,3-5,7H2,1-2H3
InChIKey :CTMNHOOSFSITGN-UHFFFAOYAD
SMILES :CC(C)CC1C2CCCC=C2C(=O)O1
cas number :6415-59-4
molar refractivity :54.99 ± 0.4 cm3
parachor :454.8 ± 6.0 cm3
index of refraction :1.497 ± 0.03
surface tension :34.4 ± 5.0 dyne/cm
density :1.03 ± 0.1 g/cm3
polarizability :21.80 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 194.2701200
formula :C12 H18 O2
BioActivity Analysis :8129931
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :

properties :
appearence :colorless to pale yellow crystals
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 88.00 - 89.00 °C. @ 760.00 mm Hg
boiling point : 334.00 - 335.00 °C. @ 760.00 mm Hg
logp : 2.84
shelf life : 12.00 month(s) or longer if stored properly.
Storage :refrigerate in tightly sealed containers.

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 282.00  °F.  TCC  ( 138.89 °C. )
  

safety links :
chemidplus :006415594
epa-srs :6415-59-4
  

other :
 

references :
pubchem :688473
  
synonyms :
3-butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
3-butyl-3a,4,5,6-tetrahydrophthalide
neocnidilide
 sedanolide
 tetrahydrobutyl phthalide
(odor and/or flavor) used in :
 celery
natural occurrence in :
data pagecarrot seed oil @ 0.40%
celery oils
data pagecelery seed oil CO2 extract india @ 28.84%
data pagecelery seed oil egypt @ 17.28%
data pagecelery seed oil india @ 2.50%
ligusticum sinense



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