cyclohexyl crotonate
 
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IUPAC name :cyclohexyl (E)-but-2-enoate
InChI :InChI=1/C10H16O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h2,6,9H,3-5,7-8H2,1H3/b6-2+
InChIKey :ZUMGBVSYIVKLDH-QHHAFSJGBN
SMILES :C\C=C\C(=O)OC1CCCCC1
cas number :31416-78-1
molar refractivity :48.04 ± 0.4 cm3
parachor :412.0 ± 6.0 cm3
index of refraction :1.468 ± 0.03
surface tension :32.4 ± 5.0 dyne/cm
density :0.97 ± 0.1 g/cm3
polarizability :19.04 ± 0.5 10-24cm3
xlogp : 2.90
molecular weight : 168.2328400
formula :C10 H16 O2
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :amber
odor strength :medium
odor description :
at 100.00 %.  
amber floral balsam cistus
properties : 
appearence :colorless clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 221.00 - 223.00 °C. @ 760.00 mm Hg
logp : 3.38
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 182.00  °F.  TCC  ( 83.33 °C. )
  
recommendation for cyclohexyl crotonate usage levels up to :
  2.0000 % in the fragrance concentrate.
  
safety links : 
chemidplus :031416781
epa-srs :31416-78-1
  
other : 
 
references : 
pubchem :746825
  
synonyms :
 crotonate de cyclo-hexyle
 cyclohexyl (E)-2-butenoate
 cyclohexyl (E)-but-2-enoate
 cyclohexyl crotonate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) used in :
 amber
 balsam
 cistus
 floral
 heather
 labdanum
 oriental
 woody
natural occurrence in :
not found in nature



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