methyl 4-pentenoate
methyl pent-4-enoate
 
Notes:
Used as a food additive [EAFUS]
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      13-62480 METHYL-4-PENTENOATE, Kosher
       
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      Product(s):
      E0717 Methyl 4-pentenoate >98.0%(GC)
       
Synonyms   Articles   Notes   Search
methyl pent-4-enoate (Click)
CAS Number: 818-57-5Picture of molecule
FDA UNII: G48IPZ8O71
Nikkaji Web: J436.466J
MDL: MFCD03990590
XlogP3-AA: 1.20 (est)
Molecular Weight: 114.14410000
Formula: C6 H10 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring 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: 1616  methyl 4-pentenoate
FEMA Number: 4353  methyl 4-pentenoate
FDA Mainterm: METHYL 4-PENTENOATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.92100 to 0.92300 @  25.00 °C.
Pounds per Gallon - (est).: 7.664 to  7.680
Refractive Index: 1.41000 to 1.42000 @  20.00 °C.
Boiling Point: 125.00 to  127.00 °C. @ 760.00 mm Hg
Vapor Pressure: 43.972000 mm/Hg @ 25.00 °C. (est)
Flash Point: 84.00 °F. TCC ( 28.89 °C. )
logP (o/w): 1.454 (est)
Soluble in:
 alcohol
 dipropylene glycol
 propylene glycol
 water, 3649 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 green  fruity  
Odor Description:
at 10.00 % in dipropylene glycol. 
green fruit
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
4-Pentenoic acid, methyl ester
BOC Sciences
For experimental / research use only.
Methyl 4-pentenoate
Penta International
METHYL-4-PENTENOATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 4-pentenoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 4-pentenoate ≥95.0% (GC)
TCI AMERICA
For experimental / research use only.
Methyl 4-pentenoate >98.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing 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
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Safety in Use Information:
Category: flavoring agents
Recommendation for methyl 4-pentenoate usage levels up to:
 not for fragrance use.
 
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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 2.000005.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
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 : 543664
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3272
WGK Germany: 3
 methyl pent-4-enoate
Chemidplus: 0000818575
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References:
 methyl pent-4-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 543664
Pubchem (sid): 135326823
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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): HMDB40328
FooDB: FDB020052
Export Tariff Code: 2916.19.5050
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
animal
para-cresyl isobutyrateFL/FR
balsamic
isoamyl benzoateFL/FR
 fir carboxylateFR
citrus
2-heptanolFL/FR
ethereal
2-methyl valeraldehydeFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 boronia absoluteFL/FR
 citronellyl propionateFL/FR
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
(E)-geranyl acetoneFL/FR
 lily propanolFR
 papaya isobutyrateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 geranyl isovalerateFL/FR
 heptanal cyclic ethylene acetalFR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 3-nonenoateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
2-pentyl furanFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 butyl 2-methyl butyrateFL/FR
 cognac heptanoneFL/FR
alpha-decalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/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 isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
2-hexenyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
 methyl R-3-acetoxyhexanoate 
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
 violet dienyneFR
herbal
 marigold oil mexicoFL/FR
 tagete oil indiaFL/FR
 tricyclodecyl acetateFR
sulfurous
 buchu mercaptanFL/FR
tropical
beta-cyclocitralFL/FR
waxy
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
woody
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 allyl tiglateFL
 butyl 2-methyl butyrateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 3-acetoxyhexanoateFL/FR
(E,E)-2,4-heptadien-1-olFL
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
(E)-methyl geranateFL/FR
2-methyl-2-octenalFL
(E)-2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
(E)-tiglaldehydeFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
fruity
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl propionateFL
2-heptanolFL/FR
 hexanal propylene glycol acetalFL/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
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 acetaldehyde dihexyl acetalFL/FR
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
3-decen-2-oneFL/FR
 geranyl isovalerateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-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
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 marigold oil mexicoFL/FR
 tagete oil indiaFL/FR
minty
 thiogeraniolFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
tropical
beta-cyclocitralFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
 octyl 2-methyl butyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 zanthoxylum planispinum var. dintanensis
Search Trop  Picture
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Synonyms:
 allyl acetic acid methyl ester
 allylacetic acid methyl ester
 methyl allyl acetate
 methyl allylacetate
 methyl pent-4-enoate
4-pentenoic acid methyl ester
4-pentenoic acid, methyl ester
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