(E)-verbenol
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IUPAC name :(1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
InChI :InChI=1/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey :WONIGEXYPVIKFS-VGMNWLOBBJ
SMILES :CC1=C[C@@H]([C@@H]2C[C@H]1C2(C)C)O
cas number :1820-09-3
(EINECS) number :217-335-5
molar refractivity :45.55 ± 0.3 cm3
parachor :362.5 ± 6.0 cm3
index of refraction :1.511 ± 0.02
surface tension :32.4 ± 3.0 dyne/cm
density :1.002 ± 0.06 g/cm3
polarizability :18.05 ± 0.5 10-24cm3
XlogP : 2.10
molecular weight : 152.2334400
formula :C10 H16 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
properties :
appearence :white to colorless solid to liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 22.00 to 24.00 °C. @ 760.00 mm Hg
boiling point : 214.00 to 215.00 °C. @ 760.00 mm Hg
boiling point : 22.00 to 23.00 °C. @ 10.00 mm Hg
flash point : 184.00  °F.  TCC  ( 84.44 °C. )
logP (o/w) : 2.73
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 (1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
(EINECS) number :217-335-5
chemidplus :001820093
EPA Substance Registry Services :1820-09-3
references :
 (1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
NIST Chemistry WebBook :1820093
pubchem :666446
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(1alpha,2alpha,5alpha)-4,6,6-trimethyl bicyclo(3.1.1)hept-3-en-2-ol
(1R,2S,5R)-4,6,6-trimethyl bicyclo(3.1.1)hept-3-en-2-ol
(1S,2R,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-en-2-ol
trans-verbenol
soluble in :
 alcohol
insoluble in :
 water
natural occurrence in :
data pagelayana oil kenya @ 1.07%
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.10%
data pagenepeta denudata benth. oil iran @ 3.40%
data pagepatchouli oil china @ 0.03%
data pagewormseed oil spain @ 1.21%
data pagewormwood oil italy @ trace%



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