4-isopropyl quinoline
quinoline, isopropyl-
 
Notes:
None found
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4-propan-2-ylquinoline (Click)
CAS Number: 1333-53-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 215-595-4
Nikkaji Web: J561.518F
XlogP3: 3.40 (est)
Molecular Weight: 171.24261000
Formula: C12 H13 N
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: pale yellow to yellow clear liquid (est)
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: 0.007000 mm/Hg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 238.00 °F. TCC ( 114.44 °C. )
logP (o/w): 3.330 (est)
Soluble in:
 alcohol
 water, 51.26 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium ,
recommend smelling in a 1.00 % solution or less
 green  metallic  earthy  leafy  
Odor Description:
at 1.00 % in dipropylene glycol. 
green metallic earthy leafy
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
Quinoline,(1-methylethyl)-
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Safety Information:
European information :
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50  940 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 821, 1975.

Dermal Toxicity:
skin-rabbit LD50 160 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 821, 1975.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
Recommendation for 4-isopropyl quinoline usage levels up to:
  0.2000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 1333-53-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 74004
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2810
WGK Germany: 3
 4-propan-2-ylquinoline
Chemidplus: 0001333535
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References:
 4-propan-2-ylquinoline
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 1333-53-5
Pubchem (cid): 74004
Pubchem (sid): 135032860
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 fresh carbaldehydeFR
isofreshalFR
alliaceous
 dipropyl disulfideFL/FR
balsamic
 propyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 lime oil fractionsFR
 petitgrain combava oilFR
fatty
(E)-2-octenalFL/FR
floral
 anisyl propanal / methyl anthranilate schiff's baseFR
 cyclohexyl salicylateFR
 dimethyl benzyl carbinolFL/FR
 floral pyranFR
 hyacinth etherFR
 linalool oxideFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octyl acetateFL/FR
bitter orangeflower absolute moroccoFL/FR
 phenethyl butyl etherFR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propyl acetateFL/FR
fruity
 ethyl 3-hexenoateFL/FR
(E)-2-hexen-1-olFL/FR
2-hexen-1-olFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
2-isobutyl thiazoleFL/FR
 cumin acetaldehydeFL/FR
3-cyclohexyl propyl formate 
 diphenyl oxideFL/FR
 galbanum absolute replacerFR
 galbanum oleoresinFL/FR
 geranium absoluteFL/FR
 green etherFL/FR
1-hepten-3-olFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
(S)-1-hexen-3-ol 
 hexyl heptanoateFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
 ivy dioxolaneFR
 leafy acetalFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
isopropyl phenyl propionaldehydeFR
isopropyl quinolineFR
 rose leaf absolute (rosa centifolia)FL/FR
herbal
 herbal heptaneFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 lovage tinctureFL/FR
 rosemary oleoresinFL/FR
minty
isopulegyl formateFL/FR
sulfurous
 cassis pentanoneFL/FR
3-(methyl thio) hexanolFL/FR
waxy
 allyl nonanoateFL/FR
 cyclododecyl acetateFR
woody
1,3,5,7-undecatetraeneFL/FR
 
For Flavor
 
No flavor group found for these
 benzyl disulfideFL
3-cyclohexyl propyl formate 
 epoxy-2-decenalFL
(S)-1-hexen-3-ol 
2-hexenalFL
 hexyl heptanoateFL/FR
3-methyl-3-pentanolFL
2-phenyl propyl acetateFL/FR
2-isopropyl pyridineFL
isopulegyl formateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
1,3,5,7-undecatetraeneFL/FR
alliaceous
 dipropyl disulfideFL/FR
aromatic
 leafy acetalFL/FR
camphoreous
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
fatty
(E)-2-octenalFL/FR
floral
bitter orangeflower absolute moroccoFL/FR
fruity
 ethyl 3-hexenoateFL/FR
2-hexen-1-olFL/FR
 propyl cinnamateFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
2-isobutyl thiazoleFL/FR
 cassis pentanoneFL/FR
 cumin acetaldehydeFL/FR
 diphenyl oxideFL/FR
 galbanum oleoresinFL/FR
 geranium absoluteFL/FR
 green etherFL/FR
1-hepten-3-olFL/FR
(E)-2-hexen-1-olFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3,6-ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
 linalool oxideFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
herbal
 lovage tinctureFL/FR
 rosemary oleoresinFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
metallic
3-(methyl thio) hexanolFL/FR
onion
 methyl propyl trisulfideFL
sulfurous
 methyl benzyl disulfideFL
waxy
 allyl nonanoateFL/FR
 octyl acetateFL/FR
 
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Potential Uses:
 acacia cassie farnesianaFR
 agrumen 
 algae 
 amaryllis 
 apple greenFR
 artichoke 
 asafetidaFL/FR
 asparagus 
 avocadoFR
 basilFL/FR
 boxwood 
 boxwood blossom 
 boxwoodberry 
 cajuputFL/FR
 carrotFL
 carrot seedFL/FR
 cassis black currant budFL/FR
 celeryFL/FR
 cilantroFL/FR
 clematisFR
 cognacFR
 cortex 
 costusFL
 cucumberFR
 daffodil narcissusFR
 elemiFL/FR
 evergreenFR
 fennelFL/FR
 fern fougereFR
 figFR
 fir 
 fir balsamFR
 foliage 
 galbanumFL/FR
 geraniumFR
 grass 
 greenFR
 green grassFR
 green leafFR
 guavaFR
 hops houblonFL/FR
 hyacinth jacintheFR
 hydrangeaFR
 ivyFR
 jonquil narcissus jonquillaFR
 leaf 
 lettuce 
 liverwort 
 lotusFR
 marjoramFL/FR
 mimosaFR
 narcissus narcisseFR
 oreganoFL/FR
 pansyFR
 parsleyFL/FR
 pea green pea 
 pear prickly pear 
 pepper greenFL
 pine needle scotchFL/FR
 privet 
 privet blossom 
 reseda mignonetteFR
 rhubarbFR
 root beerFR
 rose geraniumFR
 rose leafFL/FR
 stem 
 strawberry leaf 
 tomatoFL
 tomato leafFR
 valerianFL/FR
 vegetable 
 vegetation tropical hothouse vegetation 
 vine 
 violet leafFL/FR
 weedy 
 wintergreenFR
 wormwood absinthiumFL/FR
 yewFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 lichenol
(1-methyl ethyl) quinoline
(1-methylethyl) quinoline
4-propan-2-ylquinoline
p-isopropyl quinoline
para-isopropyl quinoline
4-isopropylquinoline
p-isopropylquinoline
para-isopropylquinoline
 quinoline, (1-methylethyl)-
 quinoline, isopropyl-
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