cinnamaldehyde ethylene glycol acetal

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IUPAC name :

2-(2-phenylethenyl)-1,3-dioxolane

InChI :

InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2

InChIKey :

JQLASNFFJHGQTK-UHFFFAOYAP

cas number :	5660-60-6
(EINECS) number :	227-110-3
fema number :	2287
coe number :	48
jecfa number :	648
fl. number :	06.014
molar refractivity :	54.29 ± 0.3 cm3
parachor :	393.8 ± 4.0 cm3
index of refraction :	1.649 ± 0.02
surface tension :	48.9 ± 3.0 dyne/cm
density :	1.183 ± 0.06 g/cm3
polarizability :	21.52 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	176.2117800
formula :	C11 H12 O2
BioActivity Analysis :	478313

IUPAC name :

2-[(E)-2-phenylethenyl]-1,3-dioxolane

InChI :

InChI=1/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+

InChIKey :

JQLASNFFJHGQTK-VOTSOKGWBE

cas number :	5660-60-6 (E)
molar refractivity :	54.29 ± 0.3 cm3
parachor :	393.8 ± 4.0 cm3
index of refraction :	1.649 ± 0.02
surface tension :	48.9 ± 3.0 dyne/cm
density :	1.183 ± 0.06 g/cm3
polarizability :	21.52 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	176.2117800
formula :	C11 H12 O2

IUPAC name :

2-[(Z)-2-phenylethenyl]-1,3-dioxolane

cas number :	5660-60-6 (Z)
molar refractivity :	54.29 ± 0.3 cm3
parachor :	393.8 ± 4.0 cm3
index of refraction :	1.649 ± 0.02
surface tension :	48.9 ± 3.0 dyne/cm
density :	1.183 ± 0.06 g/cm3
polarizability :	21.52 ± 0.5 10-24cm3
XlogP :	2.20
molecular weight :	176.2117800
formula :	C11 H12 O2

export tariff code :

2911.00.5000

fda reg :

172.515

Suppliers :

Penta :

cinnamaldehyde ethylene glycol acetal

organoleptics :

odor type :

spicy

odor strength :

medium

odor description :
at 10.00 % in dipropylene glycol.

soft warm spicy cinnamon

properties :

appearence :

colorless to pale yellow clear liquid

assay :

90.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.09500 to 1.10300 @ 25.00 °C.

pounds per gallon - calc. :

9.111 to 9.178

refractive index :

1.56100 to 1.57000 @ 20.00 °C.

boiling point :

265.00 °C. @ 760.00 mm Hg

flash point :

247.00 °F. TCC ( 119.44 °C. )

logP (o/w) :

1.67

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) :

590.00 (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

0.007 (μg/capita/day)

recommendation for cinnamaldehyde ethylene glycol acetal usage levels up to :

1.0000 % in the fragrance concentrate.

recommendation for cinnamaldehyde ethylene glycol acetal usage levels up to :

5.0000 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

2-(2-phenylethenyl)-1,3-dioxolane

(EINECS) number :

227-110-3

chemidplus :

005660606

EPA Substance Registry Services :

5660-60-6

dtp/nci :

408703

2-[(E)-2-phenylethenyl]-1,3-dioxolane

2-[(Z)-2-phenylethenyl]-1,3-dioxolane

references :

2-(2-phenylethenyl)-1,3-dioxolane

fl. number :

06.014

jecfa number :

648

pubchem :

478313

2-[(E)-2-phenylethenyl]-1,3-dioxolane

pubchem :

164580

2-[(Z)-2-phenylethenyl]-1,3-dioxolane

other :

synonyms :
	cinnamic aldehyde ethylene glycol acetal
	cinncloval
2-(2-	phenylethenyl)-1,3-dioxolane
2-	styryl-1,3-dioxolane
2-	styryl-meta-dioxolane
soluble in :
	alcohol
insoluble in :
	water
stability :
	alkalis
(odor and/or flavor) blends with :
	benzylidene acetone
	bois de rose oil
iso	butyl cinnamate
	canella bark oil
	cassia bark oil
	cassia concrete
	cassia leaf oil china
	cassia oleoresin
	cinnamaldehyde
	cinnamaldehyde / methyl anthranilate schiff's base
	cinnamon acrolein
	cinnamon bark oil
	cinnamon bark oil (cinnamomum zeylanicum blume) india
	cinnamon leaf oil
	cinnamon oleoresin
	cinnamyl acetate
	cinnamyl alcohol
	cinnamyl anthranilate
	cinnamyl benzoate
	cinnamyl butyrate
	cinnamyl cinnamate
	cinnamyl hexanoate
	cinnamyl isobutyrate
	cinnamyl isovalerate
	cinnamyl nitrile
	cinnamyl phenyl acetate
	cinnamyl propionate
	cinnamyl salicylate
	cinnamyl tiglate
	cinnamyl valerate
	coranol
	cubeb oil
	cyperus root oil
	dihydrolinalool
3,6-	dimethyl-3-octanol
	ethyl cinnamate
	ethyl linalool
	ethyl linalyl acetal
	ethyl linalyl acetate
	ethyl linalyl ether
iso	eugenyl phenyl acetate
	furfural acetone
2-	furfurylidene butyraldehyde
(E,E)-2,4-	heptadien-1-al
(Z)-3-	hexen-1-yl cinnamate
	ho leaf oil
	ho wood oil
	linalool
dextro-	linalool
laevo-	linalool
	linalool oxide
	linalyl anthranilate
	linalyl cinnamate
(E)-para-	methoxycinnamaldehyde
ortho-	methoxycinnamaldehyde
para-	methoxycinnamaldehyde
alpha-	methyl cinnamaldehyde
para-	methyl cinnamaldehyde
	methyl cinnamate
	methyl eugenol
	methyl furfuracrylate
	methyl heptadienone
	myrtenal
	octyl cinnamate
	octyl phenyl acetate
	peru balsam oil
	phenoxyethanol
2-	phenoxyethyl formate
3-	phenyl propyl acetate
	pimenta leaf oil
	tetrahydrofurfuryl cinnamate
	tetrahydrolinalool
(odor and/or flavor) used in :
	allspice
	balsam
	cassia
	cinnamon
	oriental
	spice
natural occurrence in :
	not found in nature

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