(±)-lilac aldehyde
 
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IUPAC name :2-(5-ethenyl-5-methyloxolan-2-yl)propanal
InChI :InChI=1/C10H16O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,7-9H,1,5-6H2,2-3H3
InChIKey :YPZQHCLBLRWNMJ-UHFFFAOYAW
SMILES :CC(C=O)C1CCC(O1)(C)C=C
cas number :67920-63-2
fema number :4058
molar refractivity :49.49 ± 0.3 cm3
parachor :411.5 ± 6.0 cm3
index of refraction :1.499 ± 0.02
surface tension :35.6 ± 3.0 dyne/cm
density :0.998 ± 0.06 g/cm3
polarizability :19.62 ± 0.5 10-24cm3
xlogp : 1.60
molecular weight : 168.2328400
formula :C10 H16 O2
 
 
cas number :51685-39-3
fema number :4058
jecfa number :1457
molecular weight : 168.2328400
formula :C10 H16 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
floral lilac

properties :
appearence :colorless clear liquid
assay : 90.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.95100 to 0.96100 @ 20.00 °C.
pounds per gallon - calc. : 7.922 to 8.006
refractive index :1.45000 to 1.45900 @ 20.00 °C.
boiling point : 56.00 to 60.00 °C. @ 1.40 mm Hg
acid value : 5.00  max.  KOH/g
logp : 1.44

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :not determined
recommendation for (±)-lilac aldehyde usage levels up to :
  3.0000 % 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).
publication number : 21.
 average usual ppmaverage maximum ppm
baked goods : 8.0000016.00000
beverages(nonalcoholic) : 3.000006.00000
beverages(alcoholic) : 4.000008.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : 6.0000012.00000
fruit ices : 3.000006.00000
gelatins / puddings : 5.0000010.00000
granulated sugar : --
gravies : --
hard candy : 6.0000012.00000
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 : --
soft candy : 5.0000010.00000
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
 
 
 2-(5-ethenyl-5-methyloxolan-2-yl)propanal
chemidplus :067920632
EPA Substance Registry Services :67920-63-2
NLM Chemical Carcinogenesis Research Information System :67920-63-2
NLM Developmental and Reproductive Toxicity :67920-63-2
NLM Env. Mutagen Info. Center :67920-63-2
NLM GENetic TOXicology :67920-63-2
 
 
chemidplus :51685-39-3
EPA Substance Registry Services :51685-39-3
NLM Chemical Carcinogenesis Research Information System :51685-39-3
NLM Developmental and Reproductive Toxicity :51685-39-3
NLM Env. Mutagen Info. Center :51685-39-3
NLM GENetic TOXicology :51685-39-3

references :
 2-(5-ethenyl-5-methyloxolan-2-yl)propanal
pubchem :732409
NIST Chemistry WebBook :2548556933
jecfa number :1457
pubchem :51685-39-3

other :
synonyms :
5-ethenyl tetrahydro-alpha,5-dimethyl-2-furan acetaldehyde
5-ethenyltetrahydro-alpha,5-dimethyl-2-furanacetaldehyde
(±)-lilac aldehyde
(±)-2-(5-methyl-5-vinyl tetrahydrofuran-2-yl) propionaldehyde
(±)-2-(5-methyl-5-vinyltetrahydrofuran-2-yl)propionaldehyde

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
data pagedavana oil @ 0.5%
honey
lilac



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Html Last modified 11/29/2008