methyl octadienoate
(4E)-4,7-octadienoic acid methyl ester
 
Notes:
Fragrance ingredient with a fruity green pear note
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CAS Number: 189440-77-5Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web: J2.699.065C
XlogP3-AA: 2.10 (est)
Molecular Weight: 154.20898000
Formula: C9 H14 O2
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Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 182.00 to  184.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.777000 mmHg @ 25.00 °C. (est)
Flash Point: 153.00 °F. TCC ( 67.30 °C. ) (est)
logP (o/w): 2.494 (est)
Soluble in:
 alcohol
 water, 212.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
 fruity  green  pear  
Odor Description:
at 100.00 %. 
fruity green pear
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 189440-77-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 10986465
National Institute of Allergy and Infectious Diseases: Data
 methyl (4E)-octa-4,7-dienoate
Chemidplus: 0189440775
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References:
 methyl (4E)-octa-4,7-dienoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 10986465
Pubchem (sid): 135261251
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB40285
FooDB: FDB020006
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
 fir carboxylateFR
 hexyl cinnamateFR
citrus
(R)-citronellyl nitrileFR
 citrus specialtyFR
2-heptanolFL/FR
 cyclohexyl formateFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
(Z)-2-octenal 
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 cassis cyclohexeneFR
gamma-damasconeFR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
 dimethyl benzyl carbinyl acetateFL/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
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
isobutyl octanoateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
1,4-dibutyl-6,8-dioxabicyclo(3.2.1)octaneFR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 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
 fig crotonateFR
 fruity butanateFR
 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 3-nonenoateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
3-methyl-4-penten-1-yl angelate 
 nerolidyl isobutyrateFR
(Z)-6-nonenal 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
isopropyl 2-methyl butyrateFL/FR
 propyl 2,4-decadienoateFL/FR
 propylene glycol monohexanoate 
 rhubarb undecaneFR
(E,E)-sorbyl butyrateFL/FR
 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 propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-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 
6-methoxy-2,6-dimethyl octanalFR
(1S,5R)-myrtenyl acetateFL/FR
2-pentyl acetateFL/FR
 tagete oil indiaFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
minty
 carvyl acetateFL/FR
spicy
 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
tropical
 ethyl (Z)-3-hexenoateFL/FR
waxy
(E,E)-2,4-dodecadien-1-ol 
trans-hexanal propylene glycol acetal 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 methyl 3-acetoxyoctanoateFL/FR
woody
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
beta-bisabolenal 
isobutyl octanoateFL/FR
 cinnamyl hexanoateFL/FR
3-cyclohexyl propyl isobutyrate 
3-cyclohexyl propyl propionate 
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
2,5-diethyl-4-propyl thiazoleFL
(±)-2,3-dihydrofarnesolFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl (Z)-3-hexenoateFL/FR
 ethyl 2-(methyl thio) acetateFL
 ethyl 2-hexenoateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 geranyl ethyl etherFL/FR
2-heptyl butyrateFL/FR
trans-hexanal propylene glycol acetal 
(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-acetoxyoctanoateFL/FR
 methyl 3-hydroxybutyrateFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
(E)-methyl geranateFL/FR
 methyl nerate 
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
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
2-isopropoxy-3(5)-methyl pyrazine 
2-N-propoxy-3(5)-methyl pyrazine 
 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
cooling
 manzanate (Givaudan)FL/FR
creamy
2,4-heptadienalFL
dairy
2-pentyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 cinnamyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
fruity
isoamyl benzoateFL/FR
 boronia absoluteFL/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-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
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/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
isopropyl 2-methyl butyrateFL/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
(Z)-3-hexen-1-yl propionateFL/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
 thiogeraniolFL/FR
herbal
 tagete oil indiaFL/FR
melon
 propyl 2,4-decadienoateFL/FR
minty
 carvyl acetateFL/FR
pungent
 acetaldehydeFL
sour
3-methyl valeric acidFL
waxy
isoamyl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl 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:
 anapear
 methyl (4E)-octa-4,7-dienoate
 methyl (E)-4,7-octadienoate
(E)-methyl octa-4,7-dienoate
(4E)-4,7-octadienoic acid methyl ester
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