isobutyl quinoline
 
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IUPAC name :6-butan-2-ylquinoline
InChI :InChI=1/C13H15N/c1-3-10(2)11-6-7-13-12(9-11)5-4-8-14-13/h4-10H,3H2,1-2H3
InChIKey :AUBLFWWZTFFBNU-UHFFFAOYAG
SMILES :CCC(C)C1=CC2=C(C=C1)N=CC=C2
(EINECS) number :265-777-2
cas number :65442-31-1
molar refractivity :61.00 ± 0.3 cm3
parachor :460.0 ± 4.0 cm3
index of refraction :1.579 ± 0.02
surface tension :39.6 ± 3.0 dyne/cm
density :1.010 ± 0.06 g/cm3
polarizability :24.18 ± 0.5 10-24cm3
xlogp : 4.10
molecular weight : 185.2649000
formula :C13 H15 N
 
 
fda reg :unspecified h. number :2933.40.7050
organoleptics : 
odor type :animal
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
castoreum leather earthy oakmoss vetiver
substantivity :168  Hour(s)
properties : 
appearence :yellow to dark brown clear liquid
assay : 95.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.00700 - 1.01500 @ 25.00 °C.
pounds per gallon - calc. : 8.379 to 8.446
specific gravity :1.00800 - 1.01600 @ 20.00 °C.
pounds per gallon - calc. : 8.397 to 8.464
refractive index :1.57700 - 1.58300 @ 20.00 °C.
logp : 3.95
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1020.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for isobutyl quinoline usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for isobutyl quinoline usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :265-777-2
chemidplus :065442311
epa-srs :65442-31-1
  
other : 
 
references : 
pubchem :680864
NIST Chemistry WebBook :953867566
  
synonyms :
6-sec-butyl quinoline
6-tert-butyl quinoline
isobutyl quinoline
isobutyl quinoline isomers
(isobutyl) quinoline
soluble in :
 alcohol
 water, 101 mg/L @ 20C
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 fabric softener
 shampoo
 soap
(odor and/or flavor) blends with :
 acetoin
2-acetyl furan
 amber carbinol
 ambrette seed oil
 ambroxan
isoamyl benzoate
alpha-amyl cinnamaldehyde
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 animal carbolactone
para-anisaldehyde
para-anisyl alcohol
 bay leaf oil
 beeswax absolute
 benzoin resinoid
 benzyl alcohol
 benzyl benzoate
 benzyl cinnamate
 benzyl isoeugenol
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobutyl benzoate
isobutyl cinnamate
isobutyl salicylate
 carrot seed oil
 cedarwood oils
 cinnamyl alcohol
 citronellol
 clary sage oil
 clove bud oil
 clover nitrile
 coriander seed oil
 costus root oil
 costus valerolactone
 coumarin
para-cresyl caprylate
 cyclamen aldehyde
gamma-decalactone
 decanol
9-decen-1-ol
 decyl acetate
 dihydrojasmone
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl hydroquinone
 diphenyl oxide
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
isoeugenyl acetate
 fir balsam absolute
 floral pyranol
 gardenia oxide
 geraniol
 geranium oil
 guaiacwood oil
 hay absolute
 heliotropin
 heliotropyl acetone
 heliotropyl diethyl acetal
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 ho leaf oil
 hyacinth ether
 hydroxycitronellal
 indole
 ionones
 labdanum resinoid
 lavender absolute
 leerall
 lilyall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 longifolene
 marine pyridine
 methyl acetophenone
para-methyl anisole
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 methyl phenyl acetate
 muguet carboxaldehyde
 musks
 myrrh oil
beta-naphthyl ethyl ether
 narcissus absolute
 nerol
 nerolidol
gamma-nonalactone
 nonanal
 nonanol
 nutmeg oil
 oakmoss absolute
 ocean propanal
 orange oil
 orris pyridine
 patchouli ethanone
 patchouli oil
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde dimethyl acetal
 phenyl acetic acid
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose butanoate
 rose oxides
 santall
 strawberry furanone
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tonka bean absolute
gamma-undecalactone
10-undecen-1-al
 vanilla absolute
 vanillyl acetate
 verymoss
 vetiver oil
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol
 ylang ylang oil
(odor and/or flavor) used in :
 amber
 bandit
 cabochard
 cachet
 chypre
 earth humus
 leather
 leather russian leather
 moss
 musk
 oakmoss mousse de chene
 opium
 oriental
 tabu
 tobacco tabac tabaco
 vika cologne
 woody
natural occurrence in :
not found in nature



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