allyl cyclohexyl butyrate
allyl cyclohexanebutyrate
 
Notes:
Flavouring ingredient
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prop-2-enyl 4-cyclohexylbutanoate (Click)
CAS Number: 7493-65-4Picture of molecule
FDA UNII: 9JIF47RD7B
Nikkaji Web: J421.862K
CoE Number: 283
XlogP3-AA: 4.30 (est)
Molecular Weight: 210.31674000
Formula: C13 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 14  allyl cyclohexane butyrate
Flavis Number: 09.411 (Old)
DG SANTE Food Flavourings: 09.411  allyl cyclohexanebutyrate
FEMA Number: 2024  allyl cyclohexanebutyrate
FDA Mainterm: ALLYL CYCLOHEXANEBUTYRATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94300 to 0.94900 @  25.00 °C.
Pounds per Gallon - (est).: 7.847 to  7.897
Refractive Index: 1.46080 @  20.50 °C.
Boiling Point: 104.00 °C. @ 1.00 mm Hg
Vapor Pressure: 0.003000 mm/Hg @ 25.00 °C. (est)
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 4.590 (est)
Soluble in:
 alcohol
 essential oils
 flavor chemicals
 propylene glycol, slightly
 water, 2.241 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 fatty  fruity  pineapple  
Odor Description:
at 100.00 %. 
fatty fruity pineapple
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
Allyl Cyclohexyl Butyrate
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Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Purity Specification: < 0.1% free allyl alcohol
IFRA: View Standard
Recommendation for allyl cyclohexyl butyrate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.14 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): <0.01 (μg/capita/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
 average usual ppmaverage maximum ppm
baked goods: -3.80000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.40000
fruit ices: -1.40000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.30000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 7493-65-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61405
National Institute of Allergy and Infectious Diseases: Data
 prop-2-enyl 4-cyclohexylbutanoate
Chemidplus: 0007493654
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References:
 prop-2-enyl 4-cyclohexylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7493-65-4
Pubchem (cid): 61405
Pubchem (sid): 135018887
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB38291
FooDB: FDB017620
Export Tariff Code: 2915.60.0000
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 zinc chelate of L-lysinate HCl 
animal
 methyl (E)-2-octenoateFL/FR
camphoreous
 herbal ethanoneFR
caramellic
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
chemical
 propyl propionateFL/FR
citrus
 methyl heptenoneFL/FR
fatty
 allyl octanoateFL/FR
3-decen-2-oneFL/FR
 methyl 2-hexenoateFL/FR
fermented
 hexanal diethyl acetalFL/FR
floral
 citronellyl isovalerateFL/FR
gamma-damasconeFR
(Z)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
 ethyl safranateFR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
 hexyl 2-furoateFL/FR
 methyl citronellateFL/FR
 phenethyl acetateFL/FR
 phenethyl hexanoateFL/FR
2-phenyl propyl isobutyrateFL/FR
fresh
 sorbyl isobutyrateFL/FR
fruity
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl phenoxyacetateFL/FR
 allyl propionateFL/FR
 allyl salicylateFR
 allyl sorbateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl butyrateFL/FR
isoamyl hexanoateFL/FR
 amyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 amyl propionateFL/FR
isoamyl valerateFL/FR
 amyl valerateFL/FR
 apple crotonateFR
 apple ketalFL/FR
 benzyl ethyl etherFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl 2-butenoateFL/FR
isobutyl acetateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl furyl propionateFL/FR
isobutyl hexanoateFL/FR
 butyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 butyl valerateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
 decyl butyrateFL/FR
 diethyl malonateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl propionateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl acetoacetateFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl tiglate 
 grape butyrateFL/FR
 green acetateFR
4-heptanoneFL/FR
 heptyl isobutyrateFL/FR
3-hexanoneFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl formateFL/FR
 linalyl hexanoateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl propionateFL/FR
 methyl valerateFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
isopropyl butyrateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
isopropyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical iononeFL/FR
2-undecanoneFL/FR
 vanilla carboxylateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 butyl heptanoateFL/FR
 cognac heptanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 galbanum oxyacetateFR
 galbascone (IFF)FR
 heptanal dimethyl acetalFL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
3-hexenalFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
(Z)-5-octen-1-yl propionateFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
 pineapple heptadienone 10%FR
 propyl tiglateFL/FR
herbal
 benzyl octanoateFL/FR
3-octyl acetateFL/FR
 viridiflorolFL/FR
nutty
2-methyl-3-ethoxypyrazineFL/FR
spicy
 cinnamyl isovalerateFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 ethyl methyl mercaptopropionateFL/FR
 passiflora acetateFL/FR
tropical
 ethyl (Z)-3-hexenoateFL/FR
cis-galbanum oxathianeFL/FR
 tropical 3-thiobutyrateFL/FR
2-tropical oxathianeFL/FR
waxy
 allyl nonanoateFL/FR
 ethyl decanoateFL/FR
(E)-2-tridecen-1-yl acetateFL/FR
woody
isobornyl isovalerateFL/FR
 marine formateFR
 
For Flavor
 
No flavor group found for these
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl valerateFL
 allyl sorbateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 amyl propionateFL/FR
 amyl valerateFL/FR
 apple ketalFL/FR
 benzyl ethyl etherFL/FR
 benzyl octanoateFL/FR
isobutyl isovalerateFL/FR
 citronellyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
(Z)-alpha-damasconeFL/FR
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl cyclohexane propionateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl acetoacetateFL/FR
 geranyl hexanoateFL/FR
 heptyl 2-methyl butyrateFL
 hexanal diethyl acetalFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
(Z)-3-hexenal diethyl acetalFL/FR
(E)-2-hexenal dimethyl acetalFL
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 linalyl hexanoateFL/FR
 methyl (E,Z)-2,4-decadienoateFL/FR
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl propionateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
2-phenyl propyl isobutyrateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
 sorbyl propionateFL
(E)-2-tridecen-1-yl acetateFL/FR
2-tropical oxathianeFL/FR
 viridiflorolFL/FR
 zinc chelate of L-lysinate HCl 
alliaceous
 allyl propionateFL/FR
berry
 heptyl isobutyrateFL/FR
caramellic
 maltyl isobutyrateFL/FR
 maltyl propionateFL/FR
cinnamon
 sorbyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
coconut
 butyl heptanoateFL/FR
cooling
 manzanate (Givaudan)FL/FR
estery
 ethyl acetoacetateFL/FR
ethereal
 methyl isobutyrateFL/FR
fatty
 allyl octanoateFL/FR
3-decen-2-oneFL/FR
 ethyl (E)-4-decenoateFL/FR
 heptyl formateFL/FR
floral
(E)-geranyl acetoneFL/FR
 methyl citronellateFL/FR
 tropical iononeFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl phenoxyacetateFL/FR
isoamyl 2-methyl butyrateFL/FR
 amyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
isoamyl valerateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl acetateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl furyl propionateFL/FR
isobutyl hexanoateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cyclohexyl isovalerateFL/FR
alpha-damasconeFL/FR
(E)-alpha-damasconeFL/FR
 decyl butyrateFL/FR
 diethyl malonateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl propionateFL/FR
 ethyl valerateFL/FR
 furfuryl valerateFL
 geranyl methyl tiglate 
4-heptanoneFL/FR
3-hexanoneFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl acetateFL/FR
 methyl (E)-2-octenoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
isopropyl butyrateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
isopropyl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 vanilla carboxylateFL/FR
fusel
 methyl butyrateFL/FR
green
 allyl butyrateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl isovalerateFL/FR
isobutyl 2-butenoateFL/FR
 cassis pentanoneFL/FR
cis-galbanum oxathianeFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
3-hexenalFL/FR
(Z)-3-hexenalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 methyl heptenoneFL/FR
4-methyl-2-pentenalFL
(Z)-5-octen-1-yl propionateFL/FR
3-octyl acetateFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
honey
 phenethyl acetateFL/FR
juicy
 ethyl (E,Z)-2,4-decadienoateFL/FR
sulfurous
 buchu mercaptanFL/FR
 ethyl methyl mercaptopropionateFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl 4-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
tropical
 passiflora acetateFL/FR
 propyl propionateFL/FR
waxy
 allyl nonanoateFL/FR
 ethyl decanoateFL/FR
 phenethyl hexanoateFL/FR
 propyl heptanoateFL/FR
2-undecanoneFL/FR
woody
isobornyl isovalerateFL/FR
 
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Potential Uses:
 butterFR
 fruit tropical fruit 
 pineappleFR
 tropicalFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 allyl 4-cyclohexyl butyrate
 allyl 4-cyclohexylbutyrate
 allyl cyclohexane butyrate
 allyl cyclohexanebutyrate
 allyl hexahydrophenyl butyrate
 cyclohexane butanoic acid 2-propenyl ester
 cyclohexane butyric acid allyl ester
 cyclohexanebutanoic acid, 2-propenyl ester
 cyclohexanebutyric acid, allyl ester
 prop-2-enyl 4-cyclohexylbutanoate
2-propen-1-yl cyclohexane butyrate
2-propen-1-yl cyclohexanebutyrate
2-propenyl cyclohexane butanoate
2-propenyl cyclohexanebutanoate
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