EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

prenyl hexanoate
prenyl caproate

Sponsors

Name:3-methylbut-2-enyl hexanoate
CAS Number: 76649-22-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:278-515-7
FDA UNII:44Y3T9J41Z
Nikkaji Web:J319.349G
XlogP3-AA:3.50 (est)
Molecular Weight:184.27880000
Formula:C11 H20 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
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1829 prenyl caproate
FEMA Number:4204 prenyl caproate
FDA Mainterm: PRENYL CAPROATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.88000 to 0.88800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.322 to 7.389
Refractive Index:1.43400 to 1.44200 @ 20.00 °C.
Boiling Point: 219.00 to 221.00 °C. @ 25.00 mm Hg
Vapor Pressure:0.049000 mm/Hg @ 25.00 °C. (est)
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 4.055 (est)
Soluble in:
 alcohol
 water, 15.2 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
propyl hexanoate
isopropyl hexanoate
sulfuryl hexanoate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
fruity green cheesy
Odor Description:at 100.00 %. fruity green cheesy
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
PRENYL HEXANOATE
Odor Description: A mild green fruity odor
Used in fruit compositions
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Hexanoic acid,3-methyl-2-buten-1-yl ester
Bedoukian Research
PRENYL HEXANOATE
Odor: A mild green fruity odor
Use: Used in fruit compositions
BOC Sciences
For experimental / research use only.
Prenyl caproate
Grau Aromatics
VERTENOL-CAPROATE (PRENYL-CAPROATE)
Kosher
SRS Aromatics
VERTENOL CAPROATE
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for prenyl hexanoate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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: 22
 average usual ppmaverage maximum ppm
baked goods: 10.00000100.00000
beverages(nonalcoholic): 0.300003.00000
beverages(alcoholic): 1.5000015.00000
breakfast cereal: 0.300001.50000
cheese: --
chewing gum: 15.00000100.00000
condiments / relishes: --
confectionery froastings: 1.5000010.00000
egg products: 1.5000010.00000
fats / oils: 1.5000010.00000
fish products: --
frozen dairy: 6.0000060.00000
fruit ices: 3.0000030.00000
gelatins / puddings: 3.0000030.00000
granulated sugar: --
gravies: --
hard candy: 5.0000050.00000
imitation dairy: --
instant coffee / tea: 0.600006.00000
jams / jellies: 3.0000030.00000
meat products: --
milk products: 0.6000060.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.5000015.00000
snack foods: --
soft candy: 3.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):76649-22-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :173534
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3-methylbut-2-enyl hexanoate
Chemidplus:0076649224
 
References:
 3-methylbut-2-enyl hexanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):173534
Pubchem (sid):135192669
Pherobase:View
 
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
KEGG (GenomeNet):C13422
HMDB (The Human Metabolome Database):HMDB32489
FooDB:FDB010135
Export Tariff Code:2915.90.8000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
fir carboxylate
FR
hexyl cinnamate
FR
citrus
(R)-
citronellyl nitrile
FR
citrus specialty
FR
2-
heptanol
FL/FR
ethereal
cyclohexyl formate
FL/FR
2-
methyl valeraldehyde
FL/FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
boronia absolute
FL/FR
cassis cyclohexene
FR
gamma-
damascone
FR
dihydrocarvyl acetate
FL/FR
(±)-2,3-
dihydrofarnesol
FL/FR
6,8-
dimethyl-2-nonanol
FR
(E)-
geranyl acetone
FL/FR
geranyl formate
FL/FR
geranyl isobutyrate
FL/FR
hexyl lactate
FL/FR
hexyl nonanoate
FL/FR
jasmin cyclopentanol
FR
(Z)-
jasmone
FL/FR
(2-
methoxy-1-methyl propyl) benzene
FR
para-
methyl benzyl acetate
FL/FR
papaya isobutyrate
FL/FR
tilia cordata flower oil CO2 extract
FR
fruity
allyl amyl glycolate
FR
allyl butyrate
FL/FR
3-
allyl oxy-1,4-dimethyl bicyclo(3.2.1)octane
FR
iso
amyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
3-
butyl bicyclo[3.2.1]-6-octen-2-one
FR
butyl isobutyrate
FL/FR
iso
butyl octanoate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
cinnamyl hexanoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
1,4-
dibutyl-6,8-dioxabicyclo(3.2.1)octane
FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-hexenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR
endo-
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
fig crotonate
FR
fruity butanate
FR
geranyl ethyl ether
FL/FR
geranyl isovalerate
FL/FR
heptanal cyclic ethylene acetal
FR
2-
heptyl butyrate
FL/FR
heptyl isobutyrate
FL/FR
heptyl valerate
FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
hexyl valerate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl heptanoate
FL/FR
methyl octadienoate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
nerolidyl isobutyrate
FR
2-
nonanone
FL/FR
(Z)-6-
nonen-1-al dimethyl acetal
FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
3-
phenyl propyl hexanoate
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
rhubarb undecane
FR
sorbyl butyrate
FL/FR
(E,E)-
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical specialty
FR
tropical thiazole
FL/FR
tropical trithiane
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
actinidia chinensis fruit extract
FL/FR
actinidia chinensis fruit water
FR
actinidia chinensis seed extract
CS
allyl phenethyl ether
FR
black
currant bud absolute replacer
FL/FR
alpha-
decalactone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum specialty
FR
green dioxolane
FR
green note propionate
FL/FR
3-
hepten-2-one
FL/FR
herbal cyclohexane
FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal propylene glycol acetal
FL/FR
3-
hexenyl acetate
FL/FR
(Z)-3-
hexenyl methyl ether
FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
manzanate (Givaudan)
FL/FR
methyl (E)-3-hexenoate
FL/FR
neogall
FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
propylene acetal
FL/FR
(E,E)-
sorbyl isobutyrate
FL/FR
sorbyl isobutyrate
FL/FR
1-[(3aS,7aR)-3a,4,7,7a-
tetrahydro-1H-inden-6-yl]ethanone
FR
thiogeraniol
FL/FR
violet dienyne
FR
herbal
6-
methoxy-2,6-dimethyl octanal
FR
(1S,5R)-
myrtenyl acetate
FL/FR
3-
octanone
FL/FR
2-
pentyl acetate
FL/FR
tagete oil india
FL/FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
minty
carvyl acetate
FL/FR
spicy
cinnamyl propionate
FL/FR
2,5-
dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate
FR
sulfurous
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
(E)-
methyl geranate
FL/FR
2-
methyl heptanoic acid
FL/FR
octyl 2-methyl butyrate
FL/FR
winey
methyl 3-acetoxyoctanoate
FL/FR
woody
verdoxan
FR
For Flavor
No flavor group found for these
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
actinidia chinensis fruit juice
FL
allyl levulinate
FL
allyl tiglate
FL
iso
butyl octanoate
FL/FR
cinnamyl hexanoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
2,5-
diethyl-4-propyl thiazole
FL
(±)-2,3-
dihydrofarnesol
FL/FR
ethyl 2-(methyl thio) acetate
FL
ethyl 2-hexenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR
geranyl ethyl ether
FL/FR
2-
heptyl butyrate
FL/FR
2-
hexenal
FL
(E)-3-
hexenal
FL
2-
hexenal diethyl acetal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
(Z)-3-
hexenoic acid
FL
3-
hexenyl acetate
FL/FR
hexyl (E)-2-hexenoate
FL
hexyl nonanoate
FL/FR
hexyl propionate
FL/FR
hexyl valerate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 3-acetoxyoctanoate
FL/FR
methyl 3-hydroxybutyrate
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
(E)-
methyl geranate
FL/FR
methyl octadienoate
FL/FR
2-
methyl-2-octenal
FL
(E)-2-
methyl-2-octenal
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
3-
octyl butyrate
FL
4-
phenyl-2-butyl acetate
FL/FR
propylene acetal
FL/FR
(E,E)-
sorbyl butyrate
FL/FR
(E,E)-
sorbyl isobutyrate
FL/FR
viridiflorol
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
berry
heptyl isobutyrate
FL/FR
cheesy
2-
nonanone
FL/FR
cooling
manzanate (Givaudan)
FL/FR
creamy
2,4-
heptadienal
FL
3-
hepten-2-one
FL/FR
dairy
2-
pentyl acetate
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
floral
cinnamyl propionate
FL/FR
dihydrocarvyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl isobutyrate
FL/FR
(Z)-3-
hexen-1-yl anthranilate
FL/FR
fruity
iso
amyl benzoate
FL/FR
iso
amyl octanoate
FL/FR
boronia absolute
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
black
currant bud absolute replacer
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
furfuryl propionate
FL
2-
heptanol
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
hexyl lactate
FL/FR
kiwi distillates
FL
methyl (E)-2-octenoate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
para-
methyl benzyl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
octen-1-yl cyclopentanone
FL/FR
3-
phenyl propyl hexanoate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical trithiane
FL/FR
green
actinidia chinensis fruit extract
FL/FR
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
cyclohexyl formate
FL/FR
3-
decen-2-one
FL/FR
geranyl formate
FL/FR
geranyl isovalerate
FL/FR
green note propionate
FL/FR
(E,E)-2,4-
hexadienal
FL
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexenal diethyl acetal
FL
(E)-3-
hexenoic acid
FL
hexyl (E)-tiglate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
methyl (E)-3-hexenoate
FL/FR
methyl 2-undecynoate
FL
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
herbal
tagete oil india
FL/FR
minty
carvyl acetate
FL/FR
thiogeraniol
FL/FR
mushroom
3-
octanone
FL/FR
pungent
acetaldehyde
FL
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sour
3-
methyl valeric acid
FL
tropical
beta-
cyclocitral
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
2-
methyl heptanoic acid
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
woody
(Z)-
jasmone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FLcheese
FRfruit
FRgreen
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 hexanoic acid 3-methyl-2-butenyl ester
 hexanoic acid, 3-methyl-2-butenyl ester
3-methyl but-2-enyl hexanoate
3-methyl-2-butenyl hexanoate
3-methylbut-2-enyl hexanoate
 prenyl caproate
 vertenol caproate (Grau)
 vertenol-caproate (Grau)
 
 
Notes:
Used as a food additive [EAFUS]
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