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benzyl levulinate
phenylmethyl 4-oxopentanoate

Supplier Sponsors

Name:benzyl 4-oxopentanoate
CAS Number: 6939-75-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:230-075-7
FDA UNII: AM34X4Q295
Nikkaji Web:J265.970K
MDL:MFCD00062778
XlogP3-AA:1.20 (est)
Molecular Weight:206.24118000
Formula:C12 H14 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance 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:2064 benzyl levulinate
FEMA Number:4623 benzyl levulinate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):6939-75-9 ; BENZYL LEVULINATE
 
Physical Properties:
Appearance:yellow clear viscous liquid to solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.09500 to 1.10100 @ 20.00 °C.
Pounds per Gallon - (est).: 9.122 to 9.172
Refractive Index:1.50300 to 1.50900 @ 20.00 °C.
Boiling Point: 316.00 to 318.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.000390 mmHg @ 25.00 °C. (est)
Vapor Density:7.11 ( Air = 1 )
Flash Point: 280.00 °F. TCC ( 137.78 °C. )
logP (o/w): 1.651 (est)
Soluble in:
 alcohol
 water, 2109 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl levulinate
isoamyl levulinate
butyl levulinate
ethyl levulinate
(Z)-3-hexen-1-yl levulinate
methyl levulinate
propyl levulinate
isopropyl levulinate
 
Organoleptic Properties:
Odor Description:fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Pentanoic acid, 4-oxo-,phenylmethyl ester
BOC Sciences
For experimental / research use only.
Benzyl Levulinate
Inoue Perfumery
BENZYL LEVULINATE
Penta International
BENZYL LEVULINATE
Sigma-Aldrich: Aldrich
For experimental / research use only.
BENZYL LEVULINATE
Synerzine
Benzyl Levulinate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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:
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
 
Structure Class: I
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: 3.0000050.00000
beverages(nonalcoholic): 0.300005.00000
beverages(alcoholic): 0.100001.00000
breakfast cereal: --
cheese: --
chewing gum: 15.00000250.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 1.5000050.00000
fish products: --
frozen dairy: 1.0000010.00000
fruit ices: 0.600006.00000
gelatins / puddings: 1.0000020.00000
granulated sugar: --
gravies: 1.0000020.00000
hard candy: 1.5000050.00000
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: 0.100005.00000
soft candy: 0.100005.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :81359
National Institute of Allergy and Infectious Diseases:Data
benzyl 4-oxopentanoate
Chemidplus:0006939759
 
References:
 benzyl 4-oxopentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):81359
Pubchem (sid):135037309
 
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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
ChemSpider:View
FAO:Benzyl levulinate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzyl 4-oxopentanoate
 benzyl 4-oxovalerate
4-oxo-pentanoic acid phenyl methyl ester
4-oxo-pentanoic acid phenylmethyl ester
 pentanoic acid, 4-oxo-, phenylmethyl ester
 pentanoic acid, 4-oxo-,phenylmethyl ester
 phenylmethyl 4-oxopentanoate
4-oxovaleric acid benzyl ester
 
 
Notes:
None found
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