bornylene
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IUPAC name :1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
InChI :InChI=1/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3
InChIKey :KUKRLSJNTMLPPK-UHFFFAOYAJ
SMILES :CC1(C2CCC1(C=C2)C)C
cas number :464-17-5
molar refractivity :43.86 ± 0.3 cm3
parachor :365.8 ± 4.0 cm3
index of refraction :1.490 ± 0.02
surface tension :33.8 ± 3.0 dyne/cm
density :0.898 ± 0.06 g/cm3
polarizability :17.39 ± 0.5 10-24cm3
XlogP : 4.50
XlogP3-AA : 3.60
molecular weight : 136.2340400 (IUPAC)
formula :C10 H16
BioActivity Analysis :565118
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :bornylene

organoleptics :

properties :
appearence :white solid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 111.00 to 113.00 °C. @ 760.00 mm Hg
boiling point : 146.00 to 147.00 °C. @ 760.00 mm Hg
flash point : 77.00  °F.  TCC  ( 25.00 °C. )
logP (o/w) : 4.17

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for bornylene usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for bornylene usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 
 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
chemidplus :000464175
EPA Substance Registry Services :464-17-5
dtp/nci :193373

references :
 1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
NIST Chemistry WebBook :578803709
pubchem :153280

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-bornene
1,7,7-trimethyl bicyclo(2.2.1)hept-2-ene
1,7,7-trimethyl norbornene
1,7,7-trimethyl-2-norbornene
1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagecarrot weed oil @ 0.11%
data pageclocimum oil india @ 0.56%
data pageheracleum candolleanum rhizome oil india @ 18.60%
data pagelime oil distilled mexico @ 0.02%
data pagewormwood oil annus france @ 0.00-0.29%



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