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allyl levulinate
allyl 4-oxopentanoate

Sponsors

Name:prop-2-enyl 4-oxopentanoate
CAS Number: 1070-35-5Picture of molecule3D/inchi
Nikkaji Web:J354.645D
XlogP3-AA:0.30 (est)
Molecular Weight:156.18124000
Formula:C8 H12 O3
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
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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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 224.00 to 226.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.087000 mm/Hg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 0.743 (est)
Soluble in:
 alcohol
 water, 2.013e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
isoamyl levulinate
benzyl levulinate
butyl levulinate
ethyl levulinate
(Z)-3-hexen-1-yl levulinate
methyl levulinate
propyl levulinate
isopropyl levulinate
 
Organoleptic Properties:
Odor Type: banana
Odor Strength:medium
banana peel fruity green
Odor Description:at 100.00 %. banana peel fruity green
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Inoue Perfumery
ALLYL LEVULINATE
Synerzine
Allyl Levulinate
 
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: flavoring agents
IFRA Purity Specification: < 0.1% free allyl alcohol
Recommendation for allyl levulinate usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :529770
National Institute of Allergy and Infectious Diseases:Data
prop-2-enyl 4-oxopentanoate
Chemidplus:0001070355
 
References:
 prop-2-enyl 4-oxopentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):529770
Pubchem (sid):135302202
Pherobase:View
 
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
HMDB (The Human Metabolome Database):Search
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
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allyl tiglate
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sec-
butyl acetate
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diethyl maleate
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2,5-
diethyl-4-propyl thiazole
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ethyl 2-(methyl thio) acetate
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(E)-3-
hexenal
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 3-hydroxybutyrate
FL
2-
methyl butyl isobutyrate
FL
2-
methyl-3-heptanone
FL
(E,E)-3,5-
octadien-2-one
FL
3-
octyl butyrate
FL
treattarome® natural distillates
FL
creamy
creamy
2,4-
heptadienal
FL
earthy
1-
hexen-3-yl acetate
FL
fruity
banana distillates
FL
furfuryl butyrate
FL
furfuryl propionate
FL
kiwi distillates
FL
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
green
(E,E)-2,4-
hexadienal
FL
methyl 2-undecynoate
FL
pungent
acetaldehyde
FL
sour
3-
methyl valeric acid
FL
 
Potential Uses:
 banana 
 fruit tropical fruit 
 
Occurrence (nature, food, other):note
 chenopodium oil (chenopodium ambrosioldes var. ambrosioldes) spain @ 0.04%
Data GC Search Trop Picture
 
Synonyms:
 allyl 4-oxopentanoate
 levulinic acid, 2-propenyl ester
 pentanoic acid, 4-oxo-, 2-propen-1-yl ester
 prop-2-enyl 4-oxopentanoate
 
 
Notes:
None found
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