methyl 3-acetoxyoctanoate
methyl 3-acetyloxyoctanoate
 
Notes:
None found
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methyl 3-acetyloxyoctanoate (Click)
CAS Number: 35234-21-0Picture of molecule
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:
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JECFA Food Flavoring: 1956  methyl 3-acetoxyoctanoate
FEMA Number: 4454  methyl 3-acetoxyoctanoate
FDA Mainterm: METHYL 3-ACETOXYOCTANOATE
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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)
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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).
 
 
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Cosmetic Information:
None found
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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 CSA
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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
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
Click here to view publication 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: --
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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
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References:
 methyl 3-acetyloxyoctanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 529300
Pubchem (sid): 135211978
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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): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: Methyl 3-acetoxyoctanoate
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 propyl 2-methyl butyrateFL/FR
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 fir carboxylateFR
 hexyl cinnamateFR
berry
 methyl furoate 
caramellic
 diethyl malateFL/FR
citrus
(R)-citronellyl nitrileFR
 citrus specialtyFR
2-heptanolFL/FR
 cyclohexyl formateFL/FR
 methyl acetateFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
(Z)-2-octenal 
fermented
 methyl decanoateFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 cassis cyclohexeneFR
gamma-damasconeFR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 hexyl lactateFL/FR
 hexyl nonanoateFL/FR
 jasmin cyclopentanolFR
(Z)-jasmoneFL/FR
(2-methoxy-1-methyl propyl) benzeneFR
para-methyl benzyl acetateFL/FR
 methyl nerate 
 papaya isobutyrateFL/FR
 tilia cordata flower oil CO2 extractFR
fruity
 allyl amyl glycolateFR
 allyl butyrateFL/FR
3-allyl oxy-1,4-dimethyl bicyclo(3.2.1)octaneFR
isoamyl butyrateFL/FR
 benzyl ethyl malonate 
 butyl anthranilateFL/FR
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
isobutyl octanoateFL/FR
isobutyl propionateFL/FR
1-isobutyl-2-methyl butyl 2-butenoate 
 cherry pentenoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
1,4-dibutyl-6,8-dioxabicyclo(3.2.1)octaneFR
 diethyl malonateFL/FR
1,2-dimethyl propyl 2-butenoate 
 dimethyl succinateFL/FR
 dodecyl propionateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 2-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl acetoacetateFL/FR
endo-ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 farnesyl acetoneFL/FR
 fig crotonateFR
 fruity butanateFR
 geranyl acetoacetateFL/FR
 geranyl ethyl etherFL/FR
 geranyl isovalerateFL/FR
2-heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
 heptyl valerateFR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
2-hydroxy-5-pentyl tetrahydrofuran 
 methyl heptanoateFL/FR
 methyl octadienoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
3-methyl-4-penten-1-yl angelate 
 nerolidyl isobutyrateFR
(Z)-6-nonen-1-al dimethyl acetalFR
 octen-1-yl cyclopentanoneFL/FR
(Z)-6-octenal 
 octyl butyrateFL/FR
2-pentyl furanFL/FR
3-phenyl propyl hexanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
 propyl angelate 
 propylene glycol monohexanoate 
 rhubarb undecaneFR
 sorbyl butyrateFL/FR
(E,E)-sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
1,3,3,5-tetramethyl-7-carbomethoxybicyclo(2.2.2)octane 
1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)octane 
 tropical specialtyFR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
 actinidia chinensis fruit waterFR
 actinidia chinensis seed extractCS
 allyl phenethyl etherFR
beta-bisabolenal 
black currant bud absolute replacerFL/FR
3-cyclohexyl propyl isobutyrate 
3-cyclohexyl propyl propionate 
alpha-decalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 galbanum specialtyFR
 green dioxolaneFR
 green note propionateFL/FR
 herbal cyclohexaneFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
(Z)-3-hexenyl methyl etherFR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
4-mercapto-5-nonanone 
 methyl (E)-3-hexenoateFL/FR
 methyl R-3-acetoxyhexanoate 
 neogallFR
(E)-2-pentenalFL/FR
2-isopropoxy-3(5)-methyl pyrazine 
 propylene acetalFL/FR
(E,E)-sorbyl isobutyrateFL/FR
 sorbyl isobutyrateFL/FR
1-[(3aS,7aR)-3a,4,7,7a-tetrahydro-1H-inden-6-yl]ethanoneFR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
isoamyl tiglateFL/FR
 ethyl chrysanthemateFR
6-methoxy-2,6-dimethyl octanalFR
(1S,5R)-myrtenyl acetateFL/FR
2-pentyl acetateFL/FR
 tagete oil indiaFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
honey
 methyl hydrocinnamateFL/FR
minty
 carvyl acetateFL/FR
oily
(R)-(-)-2-butanol 
 cinnamyl propionateFL/FR
2,5-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetate + 1,4-dimethyl bicyclo(3.2.1)-2-octen-3-yl acetateFR
sulfurous
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
waxy
 allyl nonanoateFL/FR
(E,E)-2,4-dodecadien-1-ol 
trans-hexanal propylene glycol acetal 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
woody
 kaempferia galanga rhizome oilFL/FR
2-N-propoxy-3(5)-methyl pyrazine 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
 actinidia chinensis fruit juiceFL
 allyl levulinateFL
 allyl tiglateFL
isoamyl tiglateFL/FR
 benzyl ethyl malonate 
beta-bisabolenal 
(R)-(-)-2-butanol 
 butyl angelateFL/FR
2-butyl furanFL
isobutyl octanoateFL/FR
1-isobutyl-2-methyl butyl 2-butenoate 
 cinnamyl hexanoateFL/FR
3-cyclohexyl propyl isobutyrate 
3-cyclohexyl propyl propionate 
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
 diethyl malateFL/FR
2,5-diethyl-4-propyl thiazoleFL
(±)-2,3-dihydrofarnesolFL/FR
1,2-dimethyl propyl 2-butenoate 
(E,E)-2,4-dodecadien-1-ol 
 dodecyl propionateFL/FR
 ethyl 2-(methyl thio) acetateFL
 ethyl 2-hexenoateFL/FR
 ethyl 3-hydroxyoctanoateFL
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 geranyl ethyl etherFL/FR
2-heptyl butyrateFL/FR
trans-hexanal propylene glycol acetal 
2-hexanolFL/FR
(E)-3-hexenalFL
2-hexenalFL
2-hexenal diethyl acetalFL
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl nonanoateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
2-hydroxy-5-pentyl tetrahydrofuran 
4-mercapto-5-nonanone 
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 3-hydroxybutyrateFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl furoate 
(E)-methyl geranateFL/FR
 methyl hydrocinnamateFL/FR
 methyl nerate 
 methyl octadienoateFL/FR
2-methyl-3-heptanoneFL
3-methyl-4-penten-1-yl angelate 
(E,E)-3,5-octadien-2-oneFL
(Z)-2-octenal 
(Z)-6-octenal 
3-octyl butyrateFL
 oenanthic etherFL
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
2-isopropoxy-3(5)-methyl pyrazine 
2-N-propoxy-3(5)-methyl pyrazine 
 propyl 2-methyl butyrateFL/FR
 propyl angelate 
 propylene acetalFL/FR
 propylene glycol monohexanoate 
(E,E)-sorbyl butyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
1,3,3,5-tetramethyl-7-carbomethoxybicyclo(2.2.2)octane 
1,3,3,5-tetramethyl-8-carbomethoxybicyclo(2.2.2)octane 
 viridiflorolFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
berry
 heptyl isobutyrateFL/FR
camphoreous
 kaempferia galanga rhizome oilFL/FR
cooling
 manzanate (Givaudan)FL/FR
creamy
2,4-heptadienalFL
dairy
2-pentyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
ethereal
 methyl acetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
 methyl decanoateFL/FR
floral
 cinnamyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
fruity
isoamyl benzoateFL/FR
 boronia absoluteFL/FR
 butyl anthranilateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
black currant bud absolute replacerFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
2-heptanolFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl lactateFL/FR
 kiwi distillatesFL
 methyl (E)-2-octenoateFL/FR
para-methyl benzyl acetateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
(Z)-3-nonen-1-yl acetateFL
(Z)-5-octen-1-yl acetateFL
 octen-1-yl cyclopentanoneFL/FR
3-phenyl propyl hexanoateFL/FR
 pineapple pentenoateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 actinidia chinensis fruit extractFL/FR
 allyl butyrateFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 geranyl formateFL/FR
 geranyl isovalerateFL/FR
 green note propionateFL/FR
(E,E)-2,4-hexadienalFL
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
herbal
 tagete oil indiaFL/FR
minty
 carvyl acetateFL/FR
 thiogeraniolFL/FR
pungent
 acetaldehydeFL
sour
3-methyl valeric acidFL
waxy
 allyl nonanoateFL/FR
isoamyl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
winey
 cinnamyl butyrateFL/FR
woody
(Z)-jasmoneFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 pineapple fruit
Search Trop  Picture
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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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Articles:
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