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

methyl 3-acetoxyoctanoate
methyl 3-acetyloxyoctanoate

Sponsors

Name:methyl 3-acetyloxyoctanoate
CAS Number: 35234-21-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:252-452-5
FDA UNII:16KH805BNJ
Nikkaji Web:J289.943D
XlogP3-AA:2.30 (est)
Molecular Weight:216.27720000
Formula:C11 H20 O4
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
JECFA Food Flavoring:1956 methyl 3-acetoxyoctanoate
FEMA Number:4454 methyl 3-acetoxyoctanoate
FDA Mainterm: METHYL 3-ACETOXYOCTANOATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93400 to 0.99400 @ 20.00 °C.
Pounds per Gallon - (est).: 7.781 to 8.281
Refractive Index:1.41300 to 1.43300 @ 20.00 °C.
Boiling Point: 217.00 to 219.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.111000 mm/Hg @ 25.00 °C. (est)
Flash Point: 198.00 °F. TCC ( 92.22 °C. )
logP (o/w): 2.585 (est)
Soluble in:
 alcohol
 water
 water, 150.2 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: winey
Odor Strength:medium
winey fruity green
Odor Description:at 100.00 %. winey fruity green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Methyl 3-(acetoxy)octanoate
Parchem
methyl 3-acetoxyoctanoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for methyl 3-acetoxyoctanoate usage levels up to:
  2.0000 % 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: 24
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 0.500002.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 1.000005.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000025.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 2.0000010.00000
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: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :529300
National Institute of Allergy and Infectious Diseases:Data
methyl 3-acetyloxyoctanoate
Chemidplus:0035234210
 
References:
 methyl 3-acetyloxyoctanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529300
Pubchem (sid):135211978
 
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):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Methyl 3-acetoxyoctanoate
 
Potential Blenders and core components note
For Odor
No odor group found for these
propyl 2-methyl butyrate
FL/FR
animal
animal
methyl (E)-2-octenoate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
cinnamyl butyrate
FL/FR
fir carboxylate
FR
hexyl cinnamate
FR
caramellic
diethyl malate
FL/FR
citrus
(R)-
citronellyl nitrile
FR
citrus specialty
FR
2-
heptanol
FL/FR
ethereal
cyclohexyl formate
FL/FR
methyl acetate
FL/FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
fermented
methyl decanoate
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
butyl anthranilate
FL/FR
3-
butyl bicyclo[3.2.1]-6-octen-2-one
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
dodecyl propionate
FL/FR
ethyl (E)-3-hexenoate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl 2-hexenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl acetoacetate
FL/FR
endo-
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FR
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
farnesyl acetone
FL/FR
fig crotonate
FR
fruity butanate
FR
geranyl acetoacetate
FL/FR
geranyl ethyl ether
FL/FR
geranyl isovalerate
FL/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 heptanoate
FL/FR
methyl octadienoate
FL/FR
methyl valerate
FL/FR
3-
methyl-2-butenal
FL/FR
nerolidyl isobutyrate
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
prenyl hexanoate
FL/FR
rhubarb undecane
FR
(E,E)-
sorbyl butyrate
FL/FR
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/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
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
(Z)-3-
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
propylene acetal
FL/FR
sorbyl isobutyrate
FL/FR
(E,E)-
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
iso
amyl tiglate
FL/FR
ethyl chrysanthemate
FR
6-
methoxy-2,6-dimethyl octanal
FR
(1S,5R)-
myrtenyl acetate
FL/FR
2-
pentyl acetate
FL/FR
tagete oil india
FL/FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
honey
methyl hydrocinnamate
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
waxy
allyl nonanoate
FL/FR
(E)-
methyl geranate
FL/FR
octyl 2-methyl butyrate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
woody
kaempferia galanga rhizome oil
FL/FR
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
amyl tiglate
FL/FR
butyl angelate
FL/FR
2-
butyl furan
FL
iso
butyl octanoate
FL/FR
cinnamyl hexanoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
diethyl malate
FL/FR
2,5-
diethyl-4-propyl thiazole
FL
(±)-2,3-
dihydrofarnesol
FL/FR
dodecyl propionate
FL/FR
ethyl 2-(methyl thio) acetate
FL
ethyl 2-hexenoate
FL/FR
ethyl 3-hydroxyoctanoate
FL
ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
geranyl ethyl ether
FL/FR
2-
heptyl butyrate
FL/FR
2-
hexanol
FL/FR
(E)-3-
hexenal
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
(E)-2-
hexenal propylene glycol acetal
FL/FR
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-hydroxybutyrate
FL
4-
methyl 4-mercaptopentan-2-one 1% solution
FL/FR
(E)-
methyl geranate
FL/FR
methyl hydrocinnamate
FL/FR
methyl octadienoate
FL/FR
2-
methyl-3-heptanone
FL
(E,E)-3,5-
octadien-2-one
FL
3-
octyl butyrate
FL
oenanthic ether
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl hexanoate
FL/FR
propyl 2-methyl butyrate
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
camphoreous
kaempferia galanga rhizome oil
FL/FR
cooling
manzanate (Givaudan)
FL/FR
creamy
2,4-
heptadienal
FL
dairy
2-
pentyl acetate
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
ethereal
methyl acetate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
methyl decanoate
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
boronia absolute
FL/FR
butyl anthranilate
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)-3-hexenoate
FL/FR
ethyl 2-ethyl acetoacetate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl levulinate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
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
para-
methyl benzyl acetate
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
sorbyl butyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tropical trithiane
FL/FR
green
actinidia chinensis fruit extract
FL/FR
allyl butyrate
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
(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
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
herbal
tagete oil india
FL/FR
minty
carvyl acetate
FL/FR
thiogeraniol
FL/FR
pungent
acetaldehyde
FL
sour
3-
methyl valeric acid
FL
waxy
allyl nonanoate
FL/FR
iso
amyl butyrate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl butyrate
FL/FR
winey
cinnamyl butyrate
FL/FR
woody
(Z)-
jasmone
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 
Synonyms:
3-(acetyl oxy) octanoic acid methyl ester
3-(acetyloxy)octanoic acid methyl ester
 methyl 3-(acetoxy) octanoate
 methyl 3-(acetoxy)octanoate
 methyl 3-acetyloxyoctanoate
 octanoic acid, 3-(acetyloxy)-, methyl ester
 

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