ethyl levulinate
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IUPAC name :ethyl 4-oxopentanoate
InChI :InChI=1/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey :GMEONFUTDYJSNV-UHFFFAOYAC
SMILES :CCOC(=O)CCC(=O)C
cas number :539-88-8
(EINECS) number :208-728-2
beilstein number :0507641
fema number :2442
coe number :373
jecfa number :607
fl. number :09.435
molar refractivity :36.28 ± 0.3 cm3
parachor :340.4 ± 4.0 cm3
index of refraction :1.415 ± 0.02
surface tension :30.6 ± 3.0 dyne/cm
density :0.996 ± 0.06 g/cm3
polarizability :14.38 ± 0.5 10-24cm3
XlogP : 0.30
molecular weight : 144.1683800 (IUPAC)
formula :C7 H12 O3
BioActivity Analysis :74477
NMR Predictor :Predict
 
 
export tariff code :2918.30.0000
fda reg :172.515
Suppliers :
Advanced Biotech :ethyl levulinate
98% min. natural
Odor:  Apple, Pineapple, Rhubarb
Apple :Ethyl levulinate
Bedoukian Research :ETHYL LEVULINATE
≥98.0%, FCC, Kosher
Odor:  An ethereal fruity odor with savory backnotes
Blends well with beta-coronal and cashmeran. Good for melon, pear and smoky notes.
Flavor:  fruity
Can be used in grape, apple, pineapple, fruit, rum, smoked-meat and gravy flavors.
Berje :Ethyl Levulinate
Elan :ethyl levulinate
(natural), Kosher
Elan :ethyl levulinate
FCC, Kosher
Fleurchem :ethyl levulinate
natural
Grau Aromatics :ETHYL-LEVULINATE
NI, Kosher
Penta :ethyl levulinate
SAFC Global® :Ethyl levulinate
≥98%, FCC, FG
Odor:  apple; ethereal; pineapple; sweet; green
SAFC Global® :Ethyl levulinate
98+%, natural, US, FCC
Odor:  apple; ethereal; pineapple; sweet; green
Vigon :Ethyl Levulinate
FCC
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		sweet fruity floral berry green pineapple rhubarb
Luebke, William tgsc, (1995)
odor sample from :J. Manheimer, Inc.
odor description:
Fruity, green, melon-like with waxy notes
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
taste description:
at 40.00 ppm.  		Fruity, green, waxy and melon
Mosciano, Gerard P&F 15, No. 1, 19, (1990)
substantivity :4  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.00900 to 1.01400 @ 25.00 °C.
pounds per gallon - calc. : 8.396 to 8.437
refractive index :1.42000 to 1.42500 @ 20.00 °C.
boiling point : 93.00 to 94.00 °C. @ 18.00 mm Hg
boiling point : 105.00 °C. @ 24.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.10000 mm/Hg @ 20.00 °C.
vapor density :>1 ( Air = 1 )
flash point : 195.00  °F.  TCC  ( 90.56 °C. )
logP (o/w) : 0.29
safety :
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.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1978f)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :470.00 (μg/capita/day)
 
recommendation for ethyl levulinate fragrance usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for ethyl levulinate flavor usage levels up to :
  40.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
ethyl 4-oxopentanoate
(EINECS) number :208-728-2
RTECS :OI1700000 for cas# 539-88-8
chemidplus :000539888
EPA Substance Registry Services :539-88-8
dtp/nci :8863
references :
 
ethyl 4-oxopentanoate
fl. number :09.435
jecfa number :607
NIST Chemistry WebBook :1723643706
pubchem :154186
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 ethyl 3-acetyl propionate
 ethyl 4-ketovalerate
 ethyl 4-oxopentanoate
 ethyl 4-oxovalerate
 ethyl acetyl propanoate
 ethyl ketovalerate
 ethyl laevulate
 ethyl levulate
 levulinic acid ethyl ester
4-oxo-pentanoic acid ethyl ester
Similar Products:    note
 allyl levulinate
isoamyl levulinate
 benzyl levulinate
 butyl levulinate
(Z)-3-hexen-1-yl levulinate
 methyl levulinate
 propyl levulinate
isopropyl levulinate
soluble in :
 alcohol
 water, 45700 mg/L @ 25C
insoluble in :
 paraffin oil
potential blenders :    note
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
isoamyl formateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 citronellyl propionateFL/FR
 cognac heptanoneFL/FR
 coranolFR
beta-cyclocitralFL/FR
 cyclohexyl propionateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
alpha-decalactoneFR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dihydrolinaloolFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
3,6-dimethyl-3-octanolFL/FR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-4-butanolFL/FR
 furfuryl isovalerateFL
 furfuryl propionateFL
1-furfuryl pyrroleFL/FR
 geranyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
 green dioxolaneFR
 heliotropyl isobutyrateFL/FR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 heptyl formateFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetate 
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl phenyl acetateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 hydroxycitronellalFL/FR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
 jasmin cyclopentanolFR
 lily pentanalFR
 lily propanolFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl hexanoateFL/FR
 maltyl isobutyrateFL/FR
 melon acetalFL/FR
 melon carboxaldehydeFR
 melon nonenoateFL/FR
 melon valerateFL/FR
dextro,laevo-menthyl acetateFL/FR
 methoxycitronellalFR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-hexenoateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 2-undecynoateFL
 methyl 4-pentenoateFL
2-methyl butyl 2-methyl butyrateFL/FR
 methyl butyl phenyl acetateFL/FR
 methyl furfuryl disulfideFL
(E)-methyl geranateFL/FR
 methyl heptanoateFL/FR
1-methyl thio-2-propanoneFL
2-methyl undecanal dimethyl acetalFR
2-methyl valeraldehydeFL
 methyl valerateFL/FR
3-methyl valeric acidFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
 neryl butyrateFL/FR
2,4-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
(Z)-6-nonen-1-alFL/FR
(Z)-3-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
(E,E)-3,5-octadien-2-oneFL
(Z)-3-octen-1-olFL/FR
(Z)-5-octen-1-olFL/FR
(E)-2-octen-1-yl butyrateFL/FR
 octen-1-yl cyclopentanoneFL/FR
(E)-2-octen-4-olFL
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 octyl phenyl acetateFL/FR
 papaya isobutyrateFL/FR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
 phenyl acetaldehyde ethylene glycol acetalFR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
isopropenyl acetateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl formateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 rose carboxylateFR
 sorbyl isobutyrateFL/FR
 styralyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tetrahydrolinaloolFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 timber dioxolaneFR
 tricyclodecyl acetateFR
 tropical indeneFR
 tropical thiazoleFL/FR
 valeraldehydeFL/FR
 vanilla carboxylateFL/FR
 violet dienyneFR
 virginioneFL/FR
 woody acetateFR
potential uses :
 apple
 grape
 green
 melon watermelon muskmelon cantaloupe
 olive
 pear
 pineapple
 rhubarb
 rum
 smoky
 waxy
natural occurrence in :    note
 bread white bread  
 cocoa S
 garlic S
 onion S
 wine  

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