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

butyl levulinate
butyl 4-oxovalerate

Sponsors

Name:butyl 4-oxopentanoate
CAS Number: 2052-15-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-143-4
FDA UNII:OI56208RTB
Nikkaji Web:J95.002E
Beilstein Number:1768453
MDL:MFCD00009449
CoE Number:374
XlogP3-AA:1.00 (est)
Molecular Weight:172.22412000
Formula:C9 H16 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome 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:608 butyl levulinate
FLAVIS Number:09.436 (Old)
DG SANTE Food Flavourings:09.436 butyl 4-oxovalerate
FEMA Number:2207 butyl levulinate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BUTYL LEVULINATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 106.00 to 108.00 °C. @ 5.50 mm Hg
Boiling Point: 237.50 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure:0.038000 mm/Hg @ 25.00 °C. (est)
Flash Point: 198.00 °F. TCC ( 92.22 °C. )
logP (o/w): 1.457 (est)
Soluble in:
 alcohol
 oils
 water, 4940 mg/L @ 25 °C (est)
Similar Items:note
allyl levulinate
isoamyl levulinate
benzyl levulinate
ethyl levulinate
(Z)-3-hexen-1-yl levulinate
methyl levulinate
propyl levulinate
isopropyl levulinate
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
fruity herbal waxy caramellic savory
Odor Description:at 100.00 %. fruity herbal waxy caramel savory
Flavor Type: herbal
">herbal
Taste Description: herbal
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
BUTYL LEVULINATE ≥97.0%, Kosher
Odor Description:An herbaceous, waxy, fatty odor with savory applications
For a smoky savory note in heavier fragrances.
Taste Description:herbal
Used in herb, butter, bacon, chocolate, smoke flavors. Fruit applications include banana, melon, honeydew and cherry flavors.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
BUTYL LEVULINATE
≥97.0%, Kosher
Odor: An herbaceous, waxy, fatty odor with savory applications
Use: For a smoky savory note in heavier fragrances.
Flavor: herbal
Used in herb, butter, bacon, chocolate, smoke flavors. Fruit applications include banana, melon, honeydew and cherry flavors.
BOC Sciences
For experimental / research use only.
Butyl Levulinate 97.0%
Inoue Perfumery
BUTYL LEVULINATE
Penta International
BUTYL LEVULINATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Butyl Levulinate ≥97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Butyl Levulinate 98%
Synerzine
Butyl Levulinate
TCI AMERICA
For experimental / research use only.
Butyl Levulinate >98.0%(GC)
 
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 655, 1983.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 655, 1983.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for butyl levulinate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
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: 3
 average usual ppmaverage maximum ppm
baked goods: -4.60000
beverages(nonalcoholic): 0.200001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.10000
fruit ices: -2.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.60000
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:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):2052-15-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16331
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
butyl 4-oxopentanoate
Chemidplus:0002052155
RTECS:OI1695000 for cas# 2052-15-5
 
References:
 butyl 4-oxopentanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2052-15-5
Pubchem (cid):16331
Pubchem (sid):134983317
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40165
FooDB:FDB019874
Export Tariff Code:2918.30.9000
ChemSpider:View
FAO:Butyl levulinate
 
Potential Blenders and core components note
For Odor
aldehydic
dodecanal (aldehyde C-12 lauric)
FL/FR
anisic
amyl furoate
FL/FR
caramellic
diethyl malate
FL/FR
alpha,alpha-
dimethyl anisyl acetone
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
citrus
2-
tetradecenal
FL/FR
creamy
creamy lactone
FL/FR
earthy
octyl phenyl acetate
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
allyl octanoate
FL/FR
iso
butyl undecylenate
FL/FR
(Z)-
dairy lactone
FL/FR
2,4-
decadien-1-ol
FL/FR
(E,E)-2,4-
decadien-1-ol
FL/FR
decane nitrile
FR
decanol
FL/FR
2-
decen-1-ol
FL/FR
(E)-2-
decen-1-ol
FL/FR
(E)-2-
decenal
FL/FR
ethyl undecylenate
FL/FR
delta-
juniper lactone
FL/FR
methyl 10-undecenoate
FL/FR
4-
methyl octanoic acid
FL/FR
(Z)-2-
nonenal
CS
octanoic acid
FL/FR
(Z)-
oleic acid
FL/FR
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
floral
iso
amyl angelate
FL/FR
alpha-
amyl cinnamaldehyde
FL/FR
alpha-
amyl cinnamaldehyde / methyl anthranilate schiff's base
FR
benzyl acetone
FL/FR
butyl tiglate
FR
cassis cyclohexene
FR
citronellyl propionate
FL/FR
coranol (Firmenich)
FR
decanal / methyl anthranilate schiff's base
FR
dihydrolinalool
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
(±)-4-
ethyl octanal
FL/FR
gelsone (IFF)
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl hexanoate
FL/FR
geranyl tiglate
FL/FR
jasmin absolute (from pommade)
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
jasmin concrete
FR
jasmin concrete morocco
FR
laevo-
linalool
FL/FR
dextro-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
menthadienyl formate
FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
methyl citronellate
FL/FR
nonan-3-yl acetate
FL/FR
3-
nonanone
FL/FR
octyl acetate
FL/FR
rose undecene
FR
tetrahydrolinalool
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl heptanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
para-
anisyl propionate
FL/FR
balsam specialty
FR
decyl butyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl hexanoate
FL/FR
3-
hexanone
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
para-
menth-1-ene-9-ol
FL/FR
methyl (E,Z)-2,4-decadienoate
FL/FR
2-
methyl butyl isovalerate
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
octyl butyrate
FL/FR
2-
undecanone
FL/FR
green
butyl heptanoate
FL/FR
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
dicyclopentadiene propionate
FR
3,7-
dimethyl-6-octenoic acid
FL/FR
ethyl (E)-4-decenoate
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
herbal cyclohexane
FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl phenyl acetate
FL/FR
hexyl tiglate
FL/FR
magnolia flower oil CO2 extract
FL/FR
manzanate (Givaudan)
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
herbal
iso
amyl heptanoate
FL/FR
artemisia ludoviciana oil
FR
buchu mercaptan acetate
FL/FR
chamomile propionate
FR
chamomile valerate
FR
cuminyl acetate
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
methyl hexyl ether
FL/FR
(1S,5R)-
myrtenyl acetate
FL/FR
myrtle oil
FL/FR
3-
octanon-1-ol
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil egypt
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
viridiflorol
FL/FR
musk
iso
ambrettolide
FL/FR
oily
amyl laurate
FL/FR
orris
orris capronate
FL/FR
soapy
benzyl laurate
FL/FR
ethyl undecanoate
FL/FR
spicy
cubeb oil
FL/FR
tonka
6-
amyl-alpha-pyrone
FL/FR
vanilla
vanillyl isobutyrate
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
3-
decanone
FL/FR
(Z)-4-
decen-1-ol
FL/FR
(E)-2-
decen-1-yl acetate
FL/FR
dihydrocitronellyl acetate
FL/FR
1-
dodecanol
FL/FR
ethyl decanoate
FL/FR
ethyl palmitate
FL/FR
heptyl octanoate
FL/FR
methyl butyl phenyl acetate
FL/FR
methyl myristate
FL/FR
methyl palmitate
FL/FR
methyl undecanoate
FR
myristic acid
FL/FR
2,4-
nonadien-1-ol
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
octyl 2-methyl butyrate
FL/FR
palmitic acid
FR
phytyl acetate
FL/FR
propyl decanoate
FL/FR
tetradecanal
FL/FR
2-
tridecanone
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
woody
2-
decalinyl acetate
FR
patchouli absolute
FR
For Flavor
No flavor group found for these
allyl 10-undecenoate
FL/FR
allyl 2-furoate
FL
iso
amyl angelate
FL/FR
amyl furoate
FL/FR
amyl laurate
FL/FR
para-
anisyl propionate
FL/FR
benzyl methyl tiglate
FL
iso
butyl heptanoate
FL/FR
iso
butyl undecylenate
FL/FR
cuminyl acetate
FL/FR
(E,E)-2,4-
decadien-1-ol
FL/FR
3-
decanone
FL/FR
(E)-2-
decen-1-ol
FL/FR
(Z)-4-
decen-1-ol
FL/FR
(E)-2-
decen-1-yl acetate
FL/FR
diethyl malate
FL/FR
dihydrocitronellyl acetate
FL/FR
(±)-(cis+trans)-1,2-
dihydroperillaldehyde
FL
alpha,alpha-
dimethyl anisyl acetone
FL/FR
dimethyl benzyl carbinyl crotonate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl linalyl ether
FL/FR
(±)-4-
ethyl octanal
FL/FR
5-
ethyl-2,3,4,5-tetramethyl-2-cyclohexen-1-one
FL/FR
(Z)-3-
hepten-1-ol
FL/FR
dextro-
linalool
FL/FR
linalyl formate
FL/FR
magnolia flower oil CO2 extract
FL/FR
mango furanone
FL
methyl (E,Z)-2,4-decadienoate
FL/FR
methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR
methyl myristate
FL/FR
methyl palmitate
FL/FR
4-
methyl pentyl 4-methyl valerate
FL
nonan-3-yl acetate
FL/FR
3-
octanon-1-ol
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
octyl phenyl acetate
FL/FR
phytyl acetate
FL/FR
propyl decanoate
FL/FR
2-
tetradecenal
FL/FR
(E)-2-
tridecen-1-yl acetate
FL/FR
viridiflorol
FL/FR
althaea officinalis root tincture
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
bitter
glyceryl tributyrate
FL
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
caramellic
5-
ethyl-3,4,5,6-tetramethyl cyclohexen-2-one
FL
3-
methyl butyl 2-furyl butyrate
FL
citrus
linalool
FL/FR
laevo-
linalool
FL/FR
coconut
(R)-
massoia lactone
FL
cooling
manzanate (Givaudan)
FL/FR
creamy
althaea officinalis root extract
FL
6-
amyl-alpha-pyrone
FL/FR
creamy lactone
FL/FR
ethereal
benzyl laurate
FL/FR
methyl hexyl ether
FL/FR
fatty
allyl octanoate
FL/FR
iso
amyl laurate
FL/FR
(Z)-
dairy lactone
FL/FR
2,4-
decadien-1-ol
FL/FR
ethyl (E)-4-decenoate
FL/FR
ethyl undecylenate
FL/FR
delta-
juniper lactone
FL/FR
4-
methyl octanoic acid
FL/FR
2,4-
nonadien-1-ol
FL/FR
(E)-2-
octenoic acid
FL
(Z)-
oleic acid
FL/FR
tetradecanal
FL/FR
2-
tridecanone
FL/FR
(E,E)-2,4-
undecadienal
FL
floral
citronellyl propionate
FL/FR
dihydrolinalool
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl tiglate
FL/FR
jasmin absolute (from pommade)
FL/FR
jasmin absolute egypt (from concrete)
FL/FR
linalyl anthranilate
FL/FR
methyl citronellate
FL/FR
tetrahydrolinalool
FL/FR
fruity
allyl heptanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl octanoate
FL/FR
benzyl acetone
FL/FR
buchu mercaptan acetate
FL/FR
butyl heptanoate
FL/FR
decyl butyrate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl hexanoate
FL/FR
geranyl hexanoate
FL/FR
3-
hexanone
FL/FR
hexyl phenyl acetate
FL/FR
linalyl octanoate
FL/FR
1-para-
menthen-9-yl acetate
FL/FR
2-
methyl butyl isovalerate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
tagete oil turkey
FL/FR
tagete oil zambia
FL/FR
green
iso
butyl methyl ketone
FL/FR
gelsone (IFF)
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl propionate
FL/FR
(E)-3-
hexenoic acid
FL
hexyl 2-methyl butyrate
FL/FR
hexyl tiglate
FL/FR
linalool oxide
FL/FR
methyl 2-undecynoate
FL
3-
nonanone
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
herbal
iso
amyl heptanoate
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
para-
menth-1-ene-9-ol
FL/FR
rue oil
FL/FR
rue oil cuba
FL/FR
tagete oil egypt
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
musk
iso
ambrettolide
FL/FR
orris
orris capronate
FL/FR
soapy
dodecanal (aldehyde C-12 lauric)
FL/FR
1-
dodecanol
FL/FR
octanoic acid
FL/FR
spicy
cubeb oil
FL/FR
myrtle oil
FL/FR
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vanilla
vanillyl isobutyrate
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
allyl nonanoate
FL/FR
decanol
FL/FR
2-
decen-1-ol
FL/FR
(E)-2-
decenal
FL/FR
ethyl decanoate
FL/FR
ethyl palmitate
FL/FR
ethyl undecanoate
FL/FR
heptyl octanoate
FL/FR
methyl 10-undecenoate
FL/FR
myristic acid
FL/FR
(E)-2-
nonen-1-yl acetate
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl acetate
FL/FR
octyl butyrate
FL/FR
2-
undecanone
FL/FR
woody
(1S,5R)-
myrtenyl acetate
FL/FR
 
Potential Uses:
FLbacon
FRbutter
FRcherry
 chocolate cocoa
FRfruit
FRherbal
FRhoneydew
 waxy
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butyl 4-ketovalerate
 butyl 4-oxopentanoate
N-butyl 4-oxopentanoate
 butyl 4-oxovalerate
N-butyl acetopropionate
 butyl acetyl propionate
 butyl gamma-butyrolactone
 butyl laevulinate
N-butyl laevulinate
N-butyl levulinate
 levulinic acid butyl ester
 levulinic acid, butyl ester
4-ketopentanoic acid butyl ester
 pentanoic acid, 4-oxo-, butyl ester
 

Articles:

Google Patents:Process for the manufacture of levulinic acid and esters
PubMed:Enhanced heterogeneous catalytic conversion of furfuryl alcohol into butyl levulinate.
PubMed:Conversion of biomass-derived levulinate and formate esters into γ-valerolactone over supported gold catalysts.
PubMed:Efficient conversion of furfuryl alcohol into alkyl levulinates catalyzed by an organic-inorganic hybrid solid acid catalyst.
PubMed:Influences of metal cations on the determination of the alpha-oxocarboxylates as the methyl esters of the O-(2,3,4,5,6-pentafluorobenzyl)oximes by gas chromatography: the importance of accounting for matrix effects.
PubMed:Comparative methodology in the determination of alpha-oxocarboxylates in aqueous solution ion chromatography versus gas chromatography after oximation, extraction and esterification.
 
Notes:
Flavouring agent
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