(±)-lilac aldehyde 67920-63-2

(±)-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 :

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 ppm

average maximum ppm

baked goods :

8.00000

16.00000

beverages(nonalcoholic) :

3.00000

6.00000

beverages(alcoholic) :

4.00000

8.00000

breakfast cereal :

cheese :

chewing gum :

condiments / relishes :

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

6.00000

12.00000

fruit ices :

3.00000

6.00000

gelatins / puddings :

5.00000

10.00000

granulated sugar :

gravies :

hard candy :

6.00000

12.00000

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 :

5.00000

10.00000

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 page	davana oil @ 0.5%
	honey
	lilac

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