isopropyl quinoline
Notes :
Blends well with moss, vetiver and tobacco notes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :6-propan-2-ylquinoline
InChI :InChI=1/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3
InChIKey :NKCQEIXYLHACJC-UHFFFAOYAW
SMILES :CC(C)C1=CC2=C(C=C1)N=CC=C2
(EINECS) number :205-220-2
cas number :135-79-5
molar refractivity :56.37 ± 0.3 cm3
parachor :420.2 ± 4.0 cm3
index of refraction :1.590 ± 0.02
surface tension :40.2 ± 3.0 dyne/cm
density :1.026 ± 0.06 g/cm3
polarizability :22.34 ± 0.5 10-24cm3
xlogp : 3.50
molecular weight : 171.2383200
formula :C12 H13 N
 
 
IUPAC name :8-propan-2-ylquinoline
InChI :InChI=1/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-9H,1-2H3
InChIKey :FAHUZGNYQXPESZ-UHFFFAOYAW
SMILES :CC(C)C1=CC=CC2=C1N=CC=C2
(EINECS) number :229-264-7
cas number :6457-30-3
molar refractivity :56.37 ± 0.3 cm3
parachor :420.2 ± 4.0 cm3
index of refraction :1.590 ± 0.02
surface tension :40.2 ± 3.0 dyne/cm
density :1.026 ± 0.06 g/cm3
polarizability :22.34 ± 0.5 10-24cm3
xlogp : 3.30
molecular weight : 171.2383200
formula :C12 H13 N
 
 
fda reg :unspecified h. number :2933.40.7050
organoleptics : 
odor type :green
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
weedy green metallic earthy leafy cortex
substantivity :320  Hour(s)
properties : 
appearence :yellow to brownish yellow liquid
assay : 98.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.01900 - 1.02500 @ 25.00 °C.
pounds per gallon - calc. : 8.479 to 8.529
refractive index :1.58600 - 1.59300 @ 20.00 °C.
boiling point : 100.00 °C. @ 0.50 mm Hg
logp : 3.42
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 196.00  °F.  TCC  ( 91.11 °C. )
  
recommendation for isopropyl quinoline usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for isopropyl quinoline usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :205-220-2
chemidplus :000135795
epa-srs :135-79-5
  
(EINECS) number :229-264-7
chemidplus :006457303
epa-srs :6457-30-3
  
other : 
 
references : 
pubchem :209392
NIST Chemistry WebBook :2653439816
  
pubchem :657894
  
synonyms :
 base 3
6-isopropyl quinoline
6(8)-isopropyl quinoline
isopropyl quinoline
8-(isopropyl) quinoline
6-(isopropyl)quinoline
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 moss notes
 tobacco notes
 vetiver notes
(odor and/or flavor) used in :
 castoreum
 chypre
 cortex
 earth humus
 fern fougere
 green
 leaf
 metallic
 moss
 orchid
 smoke
 tobacco tabac tabaco
 vetiver
 weedy
 woody
natural occurrence in :
not found in nature



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