alpha-fenchyl acetate
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IUPAC name :(1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
InChI :InChI=1/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3
InChIKey :JUWUWIGZUVEFQB-UHFFFAOYAI
SMILES :CC(=O)OC1C(C2CCC1(C2)C)(C)C
cas number :4057-31-2
molar refractivity :55.34 ± 0.4 cm3
parachor :495.6 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :32.6 ± 5.0 dyne/cm
density :1.00 ± 0.1 g/cm3
polarizability :21.94 ± 0.5 10-24cm3
XlogP : 3.10
molecular weight : 196.2860000 (IUPAC)
formula :C12 H20 O2
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
properties :
Food Chemicals Codex Listed :No
boiling point : 219.00 to 220.00 °C. @ 760.00 mm Hg
flash point : 189.00  °F.  TCC  ( 87.22 °C. )
logP (o/w) : 3.60
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
safety references :
EPI System :view
 
 
 
 
(1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
chemidplus :004057312
EPA Substance Registry Services :4057-31-2
dtp/nci :404295
references :
 
(1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
NIST Chemistry WebBook :3752708529
pubchem :684432
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
endo-1,3,3-trimethyl bicyclo(2.2.1)heptan-2-ol acetate
(1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pageboldo leaf oil italy @ 0.06% S
data pageboldus leaf oil chile @ 0.04% S
data pagecedarleaf oil canada @ 0.14-0.28% S
data pagecistus oil @ 0.2% S
data pagegalangal root oil @ 0.51% S
data pagelabdanum oil @ trace% S
data pagesage oil cuba @ 2.24% S



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