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

methyl 4-pentenoate
methyl pent-4-enoate

Sponsors

Name:methyl pent-4-enoate
CAS Number: 818-57-5Picture of molecule3D/inchi
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
 
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
 
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).
 
Cosmetic Information:
None found
 
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)
 
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
 
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
 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: --
 
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
 
References:
 methyl pent-4-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):543664
Pubchem (sid):135326823
 
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
 
Potential Blenders and core components note
For Odor
balsamic
fir carboxylate
FR
fatty
hexyl pivalate
FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
lily propanol
FR
fruity
allyl amyl glycolate
FR
ethyl 2-cyclohexyl propionate
FR
ethyl 3,5,5-trimethyl hexanoate
FR
heptanal cyclic ethylene acetal
FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
nerolidyl isobutyrate
FR
rhubarb undecane
FR
tropical indene
FR
green
acetaldehyde methyl hexyl acetal
FR
green dioxolane
FR
violet dienyne
FR
herbal
tricyclodecyl acetate
FR
woody
verdoxan
FR
woody acetate
FR
For Flavor
No flavor group found for these
allyl tiglate
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
earthy
earthy
1-
hexen-3-yl acetate
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
methyl (E)-3-nonenoate
FL
green
(E)-2-
hexenal diethyl acetal
FL
methyl 2-undecynoate
FL
sour
3-
methyl valeric acid
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 zanthoxylum planispinum var. dintanensis
Search Trop Picture
 
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
 
 
Notes:
Used as a food additive [EAFUS]
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