longicyclene
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InChI :InChI=1/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3
InChIKey :WCEIQUQVIOGRBF-UHFFFAOYAZ
SMILES :CC1(CCCC2(C3C1C4C2(C4C3)C)C)C
cas number :1137-12-8
(EINECS) number :214-504-5
beilstein number :2039581
molar refractivity :63.42 ± 0.3 cm3
parachor :514.5 ± 4.0 cm3
index of refraction :1.527 ± 0.02
surface tension :38.8 ± 3.0 dyne/cm
density :0.991 ± 0.06 g/cm3
polarizability :25.14 ± 0.5 10-24cm3
XlogP : 5.50
molecular weight : 204.3510600 (IUPAC)
formula :C15 H24
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Sigma-Aldrich-Aldrich :(+)-Longicyclene
purum, ≥95.0% (sum of enantiomers, GC)

organoleptics :

properties :
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 239.00 to 240.00 °C. @ 760.00 mm Hg
flash point : 193.00  °F.  TCC  ( 89.44 °C. )
logP (o/w) : 6.07

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

safety in use :
 

safety references :
EPI System :view
 
WGK Germany :3
 
 
 
(EINECS) number :214-504-5
chemidplus :001137128
EPA Substance Registry Services :1137-12-8

references :
NIST Chemistry WebBook :637217213
pubchem :10504425

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(1S- (1alpha,2alpha,3abeta, 4alpha,8abeta,9R*))-decahydro-1,5,5,8a-tetramethyl-1,2,4-methenoazulene

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pageangelica root oil @ 0.07% S
data pagecroton cajucara benth. leaf oil brazil @ 0.90% S
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.20% S
data pagehinoki leaf oil @ 0.41% S
data pagehinoki root oil @ 0.65% S
data pagehinoki wood oil @ 0.05% S



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