4-isopropyl quinoline
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-propan-2-ylquinoline
InChI :InChI=1/C12H13N/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-9H,1-2H3
InChIKey :HFYWOOUKPVJGBA-UHFFFAOYAN
SMILES :CC(C)C1=CC=NC2=CC=CC=C12
cas number :1333-53-5
(EINECS) number :215-595-4
fl. number :14.153
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 (IUPAC)
formula :C12 H13 N
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Vigon :Isopropyl Quinoline
Odor:  EARTHY, WOODY, ROOT-LIKE

organoleptics :
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
green metallic earthy leafy

properties :
appearence :pale yellow to yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 277.00 to 279.00 °C. @ 760.00 mm Hg
vapor pressure :0.01000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 238.00  °F.  TCC  ( 114.44 °C. )
logP (o/w) : 3.42

safety :
most important hazard(s) :T - Toxic.
  R 22 - Harmful if swallowed.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    940.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 821, 1975.

Dermal Toxicity(LD50) :
  Skin-Rabbit  160.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 821, 1975.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 4-isopropyl quinoline usage levels up to :
  0.2000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2810
 
WGK Germany :3
 
 
 
 4-propan-2-ylquinoline
(EINECS) number :215-595-4
chemidplus :001333535
EPA Substance Registry Services :1333-53-5

references :
 4-propan-2-ylquinoline
fl. number :14.153
pubchem :216236

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
 lichenol
(1-methyl ethyl) quinoline
4-propan-2-ylquinoline
para-isopropyl quinoline

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl nonanoate
 anisyl propanal / methyl anthranilate schiff's base
 benzyl disulfide
2-isobutyl thiazole
 cumin acetaldehyde
 dimethyl benzyl carbinol
 diphenyl oxide
 ethyl 3-hexenoate
 fresh carbaldehyde
 galbanum oleoresin
 green ether
1-hepten-3-ol
 herbal heptane
2-hexen-1-al
(E)-2-hexen-1-ol
2-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl octanoate
(Z)-3-hexen-1-yl tiglate
 hexyl heptanoate
6-hydroxydihydrotheaspirane (mixture of isomers)
2,4-ivy carbaldehyde
3,6-ivy carbaldehyde
 ivy dioxolane
 leafy acetal
 linalool oxide
 methyl heptine carbonate
3-methyl-3-pentanol
(E,Z)-2,6-nonadien-1-yl acetate
 ocean propanal / methyl anthranilate schiff's base
(E)-2-octen-1-al
(Z)-5-octen-1-yl propionate
 octyl acetate
 orangeflower absolute
 petitgrain combava oil
 phenethyl butyl ether
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propyl acetate
 propyl cinnamate
isopropyl phenyl propionaldehyde
2-isopropyl pyridine
isopropyl quinoline
isopulegyl formate
 rose leaf absolute
 rosemary oleoresin
 tetrahydrofurfuryl cinnamate

(odor and/or flavor) used in :
 agrumen
 algae
 amaryllis
 apple green apple
 artichoke
 asafoetida
 asparagus
 avocado
 basil
 boxwood
 boxwood blossom
 boxwoodberry
 cajuput
 carrot
 carrot seed
 cassie acacia farnesiana
 cassis black currant bud
 celery
 cilantro
 clematis
 cognac
 cortex
 costus
 cucumber
 daffodil narcissus
 elemi
 evergreen
 fennel
 fern fougere
 fig
 fir
 fir balsam
 foliage
 galbanum
 geranium
 grass
 grass green grass
 green
 guava
 hops houblon
 hyacinth jacinthe
 hydrangea
 ivy leaf
 jonquil narcissus jonquilla
 leaf
 leaf green leaf
 lettuce
 liverwort
 lotus
 marjoram
 mimosa wattle
 narcissus narcisse
 oregano
 pansy
 parsley
 pea green pea
 pear prickly pear
 pepper bell pepper
 pine scotch pine
 privet
 privet blossom
 reseda mignonette
 rhubarb
 rootbeer
 rose geranium
 rose leaf
 stem
 strawberry leaf
 tomato
 tomato leaf
 valerian
 vegetable
 vegetation tropical hothouse vegetation
 vine
 violet leaf
 weedy
 wintergreen
 wormwood absinthium
 yew

natural occurrence in :
not found in nature



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