lilac lactone
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IUPAC name :5-ethenyl-5-methyloxolan-2-one
InChI :InChI=1/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3
InChIKey :QESPSAHXYXIGBG-UHFFFAOYAE
SMILES :CC1(CCC(=O)O1)C=C
cas number :1073-11-6
(EINECS) number :214-024-6
fema number :4051
jecfa number :1157
fl. number :10.070
molar refractivity :35.57 ± 0.3 cm3
parachor :291.6 ± 4.0 cm3
index of refraction :1.527 ± 0.02
surface tension :40.6 ± 3.0 dyne/cm
density :1.091 ± 0.06 g/cm3
polarizability :14.10 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 126.1531000
formula :C7 H10 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor type :floral
odor strength :low
odor description :
at 100.00 %.  
fruity minty

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01500 to 1.02500 @ 20.00 °C.
pounds per gallon - calc. : 8.456 to 8.539
refractive index :1.45700 to 1.46200 @ 20.00 °C.
boiling point : 219.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.24400 mm/Hg @ 25.00 °C.
flash point : 166.00  °F.  TCC  ( 74.44 °C. )
logP (o/w) : 0.51

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :3.00 (μg/capita/day)
 
recommendation for lilac lactone usage levels up to :
  2.0000 % in the fragrance concentrate.
 
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 on the "LIBRARY" link.
publication number : 21
 average usual ppmaverage maximum ppm
baked goods : 100.00000200.00000
beverages(nonalcoholic) : 50.00000100.00000
beverages(alcoholic) : 50.00000100.00000
breakfast cereal : 100.00000200.00000
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 75.00000150.00000
fruit ices : 50.00000100.00000
gelatins / puddings : 50.00000100.00000
granulated sugar : --
gravies : --
hard candy : 100.00000200.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 50.00000100.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 75.00000150.00000
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...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 5-ethenyl-5-methyloxolan-2-one
(EINECS) number :214-024-6
chemidplus :001073116
EPA Substance Registry Services :1073-11-6

references :
 5-ethenyl-5-methyloxolan-2-one
fl. number :10.070
jecfa number :1157
NIST Chemistry WebBook :374521887
pubchem :680025

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 dihydro-5-methyl-5-vinyl furan-2(3H)-one
 dihydro-5-methyl-5-vinyl-2(3H)-furanone
5-ethenyl dihydro-5-methyl-2(3H)-furanone
5-ethenyl-5-methyloxolan-2-one
4-hydroxy-4-methyl-5-hexenoic acid gamma lactone
 lavender lactone
4-methyl-4-vinyl-1,4-butanolide
 methyl-5-ethenyl dihydro-5-2(3H)-furanone
4-methyl-5-hexen-1,4-olide
5-methyl-5-vinyl dihydrofuran-2-one

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 carvyl propionate
 citronellal diisotridecyl acetal
beta-cyclocitral
 limonen-10-yl acetate
 menthyl acetate
dextro,laevo-menthyl acetate

(odor and/or flavor) used in :
 floral

natural occurrence in :
found in nature



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