allyl cyclohexyl valerate
allyl cyclohexanevalerate
 
Notes:
Flavouring ingredient
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prop-2-enyl 5-cyclohexylpentanoate (Click)
CAS Number: 7493-68-7Picture of molecule
FDA UNII: BWA3BL8KX5
Nikkaji Web: J1.536.436J
CoE Number: 474
XlogP3-AA: 4.90 (est)
Molecular Weight: 224.34368000
Formula: C14 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring 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
Pubchem Patents: Search
JECFA Food Flavoring: 15  allyl cyclohexane valerate
Flavis Number: 09.469 (Old)
DG SANTE Food Flavourings: 09.469  allyl cyclohexanevalerate
FEMA Number: 2027  allyl cyclohexanevalerate
FDA Mainterm: ALLYL CYCLOHEXANEVALERATE
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: 0.94200 to 0.94700 @  25.00 °C.
Pounds per Gallon - (est).: 7.838 to  7.880
Refractive Index: 1.46050 @  22.00 °C.
Boiling Point: 119.00 °C. @ 1.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 261.00 °F. TCC ( 127.22 °C. )
logP (o/w): 5.100 (est)
Soluble in:
 alcohol
 essential oils
 flavor materials
 propylene glycol, slightly
 water, 0.7193 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium
 fruity  pineapple  peach  apricot  apple  
Odor Description:
at 100.00 %. 
fruity pineapple peach apricot apple
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
Allyl Cyclohexyl Valerate
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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: flavoring agents
IFRA Purity Specification: < 0.1% free allyl alcohol
Recommendation for allyl cyclohexyl valerate usage levels up to:
 not for fragrance use.
 
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: -4.80000
beverages(nonalcoholic): -1.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.30000
fruit ices: -2.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.40000
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 ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61407
National Institute of Allergy and Infectious Diseases: Data
 prop-2-enyl 5-cyclohexylpentanoate
Chemidplus: 0007493687
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References:
 prop-2-enyl 5-cyclohexylpentanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7493-68-7
Pubchem (cid): 61407
Pubchem (sid): 135018889
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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): HMDB37814
FooDB: FDB016959
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
aldehydic
isovaleraldehydeFL/FR
 heptanoic acidFL/FR
chemical
 propyl propionateFL/FR
coconut
delta-decalactoneFL/FR
delta-undecalactoneFL/FR
earthy
 octyl phenyl acetateFL/FR
ethereal
 propyl valerateFL/FR
fatty
 allyl decanoateFL/FR
 allyl octanoateFL/FR
3-decen-2-oneFL/FR
 methyl 2-hexenoateFL/FR
floral
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
 cassis buteneoneFR
(S)-citronellyl acetateFL/FR
 citronellyl formateFL/FR
 coranol (Firmenich)FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
dextro-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 methyl citronellateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
2-phenethyl valerateFL/FR
 rhodinyl butyrateFL/FR
 tetrahydrolinaloolFL/FR
fruity
 allyl (E)-cinnamateFL/FR
 allyl 2-ethyl butyrateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl heptanoateFL/FR
 allyl isononylateFR
 allyl propionateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 amyl propionateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 apricot isobutyrateFR
 benzyl heptanoateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
2-butanolFL/FR
 butyl 2-decenoateFL/FR
isobutyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl isovalerateFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
epsilon-dodecalactoneFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
 fleuramone (IFF)FR
 fruity butanateFR
 fruity cyclopentanoneFR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl butyrateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 methyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
 octyl formateFL/FR
 peach cyclopentanoneFR
 peach pivalateFR
3-phenyl propyl hexanoateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 butyl heptanoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/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 phenyl acetateFL/FR
(E)-2-pentenalFL/FR
herbal
 benzyl octanoateFL/FR
 linalyl formateFL/FR
 linalyl isovalerateFL/FR
nutty
2-methyl-3-ethoxypyrazineFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tropical
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 tropical 3-thiobutyrateFL/FR
waxy
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
woody
 marine formateFR
 santalyl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 allyl (E)-cinnamateFL/FR
 allyl 2-ethyl butyrateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 amyl propionateFL/FR
 apple ketalFL/FR
 benzyl heptanoateFL/FR
 benzyl octanoateFL/FR
2-butanolFL/FR
 butyl angelateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl cinnamateFL/FR
9-decen-2-oneFL
epsilon-dodecalactoneFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl cyclohexyl carboxylateFL
 ethyl linalyl etherFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl valerateFL/FR
 heptyl 2-methyl butyrateFL
(Z)-3-hexenal diethyl acetalFL/FR
(E)-2-hexenal dimethyl acetalFL
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
dextro-linaloolFL/FR
 linalyl formateFL/FR
 methyl 2-hexenoateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 nonyl isovalerateFL/FR
 octyl phenyl acetateFL/FR
2-phenethyl valerateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl valerateFL/FR
 santalyl butyrateFL/FR
alliaceous
 allyl propionateFL/FR
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
citrus
laevo-linaloolFL/FR
 linaloolFL/FR
coconut
 butyl heptanoateFL/FR
delta-decalactoneFL/FR
creamy
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 massoia lactoneFL
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fatty
 allyl octanoateFL/FR
floral
 bois de rose oil brazilFL/FR
(S)-citronellyl acetateFL/FR
 dihydrolinaloolFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 linalyl anthranilateFL/FR
 methyl citronellateFL/FR
 rhodinyl butyrateFL/FR
 tetrahydrolinaloolFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl decanoateFL/FR
 allyl heptanoateFL/FR
isoamyl valerateFL/FR
 benzyl isobutyrateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl 2-decenoateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 citronellyl formateFL/FR
 cyclohexyl isovalerateFL/FR
alpha-damasconeFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
2-furyl pentyl ketoneFL
 geranyl butyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 linalyl isovalerateFL/FR
 methionyl butyrateFL
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
(methyl thio) methyl hexanoateFL
 methyl valerateFL/FR
 phenethyl isovalerateFL/FR
3-phenyl propyl hexanoateFL/FR
 propyl butyrateFL/FR
isovaleraldehydeFL/FR
fusel
 methyl butyrateFL/FR
green
isobutyl isovalerateFL/FR
3-decen-2-oneFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 linalool oxideFL/FR
 octyl formateFL/FR
(E)-2-pentenalFL/FR
herbal
3,6-dimethyl-3-octanolFL/FR
honey
 phenethyl isobutyrateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
 tropical 3-thiobutyrateFL/FR
tropical
 propyl propionateFL/FR
waxy
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 geranyl propionateFL/FR
 heptanoic acidFL/FR
 propyl heptanoateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 
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Potential Uses:
 appleFL
 apricotFL
 fruit tropical fruit 
 peachFL
 tropicalFL
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 allyl 5-cyclohexyl pentanoate
 allyl 5-cyclohexylpentanoate
 allyl cyclohexane pentanoate
 allyl cyclohexane valerate
 allyl cyclohexanepentanoate
 allyl cyclohexanevalerate
 allyl cyclohexylvalerate
 allyl hexahydrophenyl valerate
 cyclohexane pentanoic acid 2-propenyl ester
 cyclohexane valeric acid allyl ester
 cyclohexanepentanoic acid, 2-propenyl ester
 cyclohexanevaleric acid, allyl ester
 prop-2-enyl 5-cyclohexylpentanoate
2-propen-1-yl cyclohexane pentanoate
2-propen-1-yl cyclohexane valerate
2-propen-1-yl cyclohexanepentanoate
2-propen-1-yl cyclohexanevalerate
2-propenyl cyclohexanepentanoate
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