allyl cyclohexyl propionate
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Notes :
It imparts an original vibrant top note to fruity, chypre, green and lavender compositions and is used in all types of perfumery.
 
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IUPAC name :prop-2-enyl 3-cyclohexylpropanoate
InChI :InChI=1/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
InChIKey :TWXUTZNBHUWMKJ-UHFFFAOYAR
SMILES :C=CCOC(=O)CCC1CCCCC1
cas number :2705-87-5
(EINECS) number :220-292-5
beilstein number :2254663
fema number :2026
coe number :2223
jecfa number :13
fl. number :09.498
molar refractivity :57.02 ± 0.3 cm3
parachor :497.2 ± 4.0 cm3
index of refraction :1.458 ± 0.02
surface tension :32.2 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :22.60 ± 0.5 10-24cm3
XlogP : 4.10
XlogP3-AA : 3.80
molecular weight : 196.2860000 (IUPAC)
formula :C12 H20 O2
NMR Predictor :Predict
 
 
export tariff code :2916.20.5000
fda reg :172.515

Suppliers :
Apple :Pineapple ester,Allyl cyclohexylpropionate
Berje :Allyl Cyclo Hexyl Propionate
Inoue :ALLYL CYCLOHEXYL PROPIONATE
John D. Walsh :Allyl Cyclo Hexyl Propionate
Moellhausen :allyl cyclohexyl propanoate
98% min. artifical kosher
Odor:  fruity apple ananas note, chamomille.
Penta :allyl cyclohexylpropionate
SAFC Global® :Allyl cyclohexylpropionate
≥98%, FCC, Kosher, FG
Odor:  waxy; pineapple; sweet; sweet
Symrise :Allyl cyclohexyl propionate
Odor:  strong, fruity like pineapple, floral-herbaceous like camomile blossoms
Flavor:  estery green fruity pineapple
Vigon :Allyl Cyclohexyl Propionate
FCC
Odor:  Strong, fruity like pineapple, floral-herbaceous like camomile blossoms

organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  
sweet pineapple tropical fruity candy waxy
Luebke, William tgsc, (1985)
odor sample from :Givaudan Corporation
odor description:
Sweet, fruity, pineapple, waxy, apple and green
Mosciano, Gerard P&F 15, No. 3, 51, (1990)
taste description:
at 30.00 ppm.  
Fruity, pineapple, waxy, with green sweet apple nuances
Mosciano, Gerard P&F 15, No. 3, 51, (1990)
substantivity :251 hour(s) at 100.00 %

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.94500 to 0.95300 @ 25.00 °C.
pounds per gallon - calc. : 7.863 to 7.930
specific gravity :0.94600 to 0.95400 @ 20.00 °C.
pounds per gallon - calc. : 7.881 to 7.947
refractive index :1.45800 to 1.46300 @ 20.00 °C.
boiling point : 91.00 °C. @ 1.00 mm Hg
boiling point : 264.00 to 265.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.12
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Human experience : 4 % solution: non-sensitising.
Oral Toxicity(LD50) : 
  Oral-Rat    585.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Oral-Guineapig    380.00  mg/kg
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
 
IFRA purity specification :< 0.1% free allyl alcohol
recommendation for allyl cyclohexyl propionate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for allyl cyclohexyl propionate flavor usage levels up to :
  30.0000 ppm in the flavor.

safety references :
msds :msds
EPI System :view
IFRA :IFRA - ( Found under : Allyl esters )
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :3
 
 
 
 
prop-2-enyl 3-cyclohexylpropanoate
(EINECS) number :220-292-5
RTECS :GV6735000 for cas# 2705-87-5
chemidplus :002705875
EPA Substance Registry Services :2705-87-5

references :
 
prop-2-enyl 3-cyclohexylpropanoate
fl. number :09.498
jecfa number :13
NIST Chemistry WebBook :3374656467
pubchem :160764

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 allyl 3-cyclohexyl propionate
 allyl 3-cyclohexylpropionate
 allyl beta-cyclohexyl propionate
 allyl beta-cyclohexylpropionate
 allyl cyclohexane propionate
 allyl cyclohexanepropionate
3-allyl cyclohexanol propionate
3-allyl cyclohexyl propionate
 allyl cyclohexylpropionate
 allyl hexahydrophenyl propionate
 allyl hexahydrophenylpropionate
 cyclohexane propanoic acid 2-propenyl ester
 cyclohexane propionic acid allyl ester
 cyclohexanepropanoic acid 2-propenyl ester
 prop-2-enyl 3-cyclohexylpropanoate
2-propen-1-yl cyclohexane propionate
2-propenyl 3-cyclohexyl propanoate
2-propenyl 3-cyclohexylpropanoate
2-propenyl cyclohexane propanoate
2-propenyl cyclohexanepropanoate

soluble in :
 essential oils
 ethyl alcohol, 1:4 in 80% alcohol

insoluble in :
 water
 glycerin

stability :
 detergent
 moderate in soap and detergent
 soap

potential blenders :    note
 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 butyrateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl isovalerateFL/FR
 allyl nonanoateFL/FR
 allyl octanoateFL/FR
 allyl phenoxyacetateFL/FR
 allyl salicylateFR
 allyl sorbateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl 3-methyl thiopropionateFL
isoamyl benzoateFL/FR
 amyl butyrateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl formateFL/FR
 amyl hexanoateFL/FR
isoamyl hexanoateFL/FR
 amyl isobutyrateFL/FR
isoamyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 amyl propionateFL/FR
isoamyl propionateFL/FR
isoamyl valerateFL/FR
para-anisaldehydeFL/FR
 apple ketalFL/FR
 benzyl acetateFL/FR
 benzyl ethyl etherFL/FR
 benzyl isovalerateFL/FR
 benzyl octanoateFL/FR
 benzyl propionateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
isobutyl 2-butenoateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl furyl propionateFL/FR
 butyl heptanoateFL/FR
 butyl hexanoateFL/FR
isobutyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
isobutyl propionateFL/FR
 butyl valerateFL/FR
 caramel furanoneFL
 cardamom seed oilFL/FR
 cherry pentenoateFL/FR
 cinnamyl isobutyrateFL/FR
 citralFL/FR
 cognac heptanoneFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
beta-cyclocitralFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl hexanoateFL/FR
 cyclohexyl isovalerateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
alpha-decalactoneFR
gamma-decalactoneFL/FR
 decanolFL/FR
3-decen-2-oneFL/FR
 decyl butyrateFL/FR
 diethyl 1-malateFL
 diethyl malonateFL/FR
 dihydrojasmoneFL/FR
 dihydromyrcenolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
(E,E)-2,4-dodecadien-1-olFR
 dodecanalFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL
 ethyl 3-acetoxyhexanoateFL/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 cinnamateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl decanoateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ethyl propionateFL/FR
 ethyl valerateFL/FR
 floral pyranolFR
 fruity ketalFL/FR
 furfuryl propionateFL
 furfuryl valerateFL
 galbanum ketoneFR
 galbanum oxyacetateFR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl ethyl acetateFL/FR
 green acetateFR
 heliotropyl acetoneFL/FR
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
4-heptanoneFL/FR
 heptyl 2-methyl butyrateFL
3-hexanoneFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
(Z)-3-hexen-1-al diethyl acetalFL/FR
2-hexen-1-al diethyl acetalFL
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
2-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 leerallFR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl hexanoateFL/FR
 maltyl propionateFL/FR
 marine formateFR
 melon heptenalFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl 2,4-decadienoateFL/FR
 methyl 4-(methyl thio) butyrateFL
 methyl 4-methyl valerateFL
2-methyl butyl 2-methyl butyrateFL/FR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptanoateFL/FR
 methyl hexanoateFL/FR
 methyl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl octenoateFL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl undecanalFL/FR
2-methyl valeraldehydeFL
 methyl valerateFL/FR
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
2-methyl-3,(5 or 6)-ethoxypyrazineFL
 nerolidolFL/FR
 nerolidyl isobutyrateFR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanolFL/FR
(E)-2-nonen-1-yl acetateFL/FR
 nonyl isovalerateFL/FR
 ocean propanalFL/FR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 orange oilFL/FR
 osmanthus absoluteFL/FR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 phenethyl hexanoateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
 phenoxyethyl isobutyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
 pineapple heptadienone 10%FR
 pineapple hydroxyhexanoateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
isopropyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl propionateFL/FR
isopropyl propionateFL/FR
 propylene acetalFL/FR
 raspberry ketone acetateFL/FR
 rhubarb undecaneFR
 rose butanoateFL/FR
 santallFR
 sorbyl isobutyrateFL/FR
 sorbyl propionateFL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydrolinaloolFL/FR
 timber dioxolaneFR
para-tolyl aldehydeFL/FR
 tropical 3-thiobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical oxathianeFL/FR
 tropical thiazoleFL/FR
gamma-undecalactoneFL/FR
2-undecanoneFL/FR
 vanilla carboxylateFL/FR
 violet dienyneFR
 violet leaf absoluteFL/FR
 watermelon ketoneFR

potential uses :
 apple
 apple red apple
 apricot
 blueberry whortleberry red whortleberry
 bouquet
 bramble arctic bramble
 bubblegum
 chamomile
 christmas blends
 chypre
 cloudberry bakeapple
 coconut tropical coconut
 fig
 fruit
 fruit jam
 fruit juicy fruit
 fruit punch
 fruit tropical fruit
 green
 herbal
 honeysuckle chevrefeuille
 jasmin
 lavender
 lilac lilas syringa
 mango
 melon watermelon muskmelon cantaloupe
 papaya
 passion fruit
 pina colada
 pineapple
 plum greengage plum
 plum mirabelle plum
 pomegranate
 quince
 raspberry
 rose
 spice
 strawberry
 tomato
 tropical
 tutti frutti

natural occurrence in :    note
 not found in nature  



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