(±)-lilac aldehyde 67920-63-2

(±)-lilac aldehyde

Suppliers Organoleptics properties safety references FEMA Index Home Page

Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.

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 (est)
Parachor :	411.5 ± 6.0 cm3 (est)
Index of Refraction :	1.499 ± 0.02 (est)
Surface Tension :	35.6 ± 3.0 dyne/cm (est)
Density :	0.998 ± 0.06 g/cm3 (est)
Polarizability :	19.62 ± 0.5 10-24cm3 (est)
XlogP :	1.60 (est)
Molecular Weight :	168.2328400 (IUPAC) (PT) (112)
Formula :	C10 H16 O2
NMR Predictor :	Predict

CAS Number :	51685-39-3
FEMA Number :	4058
Molecular Weight :	168.2328400 (IUPAC) (PT) (112)
Formula :	C10 H16 O2

Category :

flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :

JECFA Food Flavoring :

1457

FDA Mainterm :

(+/-)-2-(5-METHYL-5-VINYLTETRAHYDROFURAN-2-YL)PROPIONALDEHYDE.

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 - est. :

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

Flash Ppoint :

not determined

logP (o/w) :

1.44

Safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

Safety in Use :

Category :

flavor and fragrance agents

Recommendation for (±)-lilac aldehyde fragrance 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).

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 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

Chemidplus :

51685-39-3

EPA Substance Registry Services :

51685-39-3

References :

Leffingwell :

chirality

2-(5-ethenyl-5-methyloxolan-2-yl)propanal

NIST Chemistry WebBook :

2548556933

Pubchem :

732409

Pubchem :

51685-39-3

Other :

VCF-Online:

VCF Volatile Compounds in Food

FDA Everything Added to Food in the United States (EAFUS)

View

Synonyms :
5-	ethenyl tetrahydro-alpha,5-dimethyl-2-furan acetaldehyde
2-(5-	ethenyl-5-methyloxolan-2-yl)propanal
5-	ethenyltetrahydro-alpha,5-dimethyl-2-furanacetaldehyde
(±)-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 : note
data page	davana oil @ 0.5%	S
	honey
	lilac

Top of Page The Good Scents Company Home