ethyl isoeugenol

flavor and fragrance agents

2D:
3D:
CAS Number:	7784-67-0
ECHA EC Number:	232-072-6
FDA UNII:	ZDR23DW95V
CoE Number:	190
Category:	flavor and fragrance agents
IUPAC Name:	ethyl isoeugenol
InChI :	InChI=1/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4+
Std.InChI:	InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4+
InChIKey :	AOSKXPFBGRLCEG-GQCTYLIABS
Std.InChIKey:	AOSKXPFBGRLCEG-GQCTYLIASA-N
SMILES :	CCOC1=C(C=C(C=C1)\C=C\C)OC
MDL:	MFCD00038710
Molar Refractivity :	60.13 ± 0.3 cm3 (est)
Parachor :	463.3 ± 4.0 cm3 (est)
Index of Refraction :	1.529 ± 0.02 (est)
Surface Tension :	31.9 ± 3.0 dyne/cm (est)
Density :	0.986 ± 0.06 g/cm3 (est)
Polarizability :	23.83 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1267 isoeugenyl ethyl ether
DG SANTE Food Flavourings:	04.017 1-ethoxy-2-methoxy-4-(prop-1-enyl)benzene
FEMA Number:	2472 isoeugenyl ethyl ether
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	7784-67-0 ; ISOEUGENYL ETHYL ETHER
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.

Physical Properties:

Appearance:	white to pale yellow crystals (est)
Assay:	96.00 to 100.00
Food Chemicals Codex Listed:	No
Melting Point:	63.00 to 64.00 °C. @ 760.00 mm Hg
Boiling Point:	245.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.004000 mmHg @ 25.00 °C. (est)
Flash Point:	229.00 °F. TCC ( 109.44 °C. )
logP (o/w):	3.558 (est)
Soluble in:
	acetic acid
	alcohol
	ether
	water, 54.88 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

spicy carnation clove spicy clove

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Benzene,1-ethoxy-2-methoxy-4-(1-propen-1-yl)-

Sigma-Aldrich: Aldrich

For experimental / research use only.

isoeugenyl ethyl ether

sds

Synerzine

isoEugenyl Ethyl Ether

Safety Information:

Preferred SDS: View

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ethyl isoeugenol usage levels up to:
	2.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.009 (μg/capita/day)
Structure Class:		III
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 Flavor Ingredient Library
publication number: 3
Click here to view publication 3
		average usual ppm	average maximum ppm
baked goods:		1.00000	3.50000
beverages(nonalcoholic):		-	7.80000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	0.50000
fruit ices:		-	0.50000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	17.00000
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:		-	-
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...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 81 (FGE.81): Consideration of hydroxypropenylbenzenes evaluated by JECFA (61st meeting) structurally related to 2-methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate from chemical group 17 evaluated by EFSA in FGE.30
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):7784-67-0

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5382490

National Institute of Allergy and Infectious Diseases:Data

1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene

Chemidplus:0007784670

References:

	1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	7784-67-0
Pubchem (cid):	5382490
Pubchem (sid):	135263079

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
ChemSpider:	View

Potential Blenders and core components :

For Odor

No odor group found for these

iso

eugenyl benzoate
FR

iso

eugenyl butyl ether
FL/FR

balsamic

clover nitrile
FR

earthy

octyl phenyl acetate
FL/FR

floral

amyl salicylate
FL/FR

bois de rose oil brazil
FL/FR

iso

butyl salicylate
FL/FR

cardamom absolute
FL/FR

cassie absolute
FL/FR

cassie absolute replacer
FL/FR

cassie perfume base
FR

cestrum nocturnum flower absolute
FR

cestrum nocturnum flower oil
FR

champaca absolute
FR

coranol (Firmenich)
FR

dianthus fragrance
FR

dihydrolinalool
FL/FR

3,6-

dimethyl-3-octanol
FL/FR

ethyl linalool
FR

ethyl linalyl acetal
FR

ethyl linalyl acetate
FR

ethyl linalyl ether
FL/FR

iso

eugenyl ethyl acetal
FR

heliotropyl diethyl acetal
FR

ho leaf oil
FR

ho wood oil
FR

(Z)-

jasmone
FL/FR

laevo-

linalool
FL/FR

dextro-

linalool
FL/FR

linalool oxide
FL/FR

linalyl anthranilate
FL/FR

phenethyl salicylate
FL/FR

phenyl amyl alcohol
FL/FR

propyl salicylate
FR

tetrahydrolinalool
FL/FR

tobacco flower absolute
FR

tuberose absolute (from concrete)
FL/FR

tuberose absolute (from pommade)
FL/FR

wallflower absolute
FR

ylang ylang flower absolute
FL/FR

fruity

cinnamyl isobutyrate
FL/FR

green

phenyl acetaldehyde
FL/FR

herbal

clary sage absolute
FL/FR

american

elder flower absolute
FR

minty

homo

menthyl acetate
FL/FR

orris

eugenyl formate
FL/FR

iso

eugenyl formate
FL/FR

spicy

allspice berry absolute
FL/FR

allspice berry oil
FL/FR

allspice berry oil terpeneless
FL/FR

allspice leaf oil
FL/FR

allspice leaf oil terpeneless
FL/FR

allspice oil
FL/FR

allspice oleoresin
FL/FR

amyl isoeugenol
FR

homo

anisaldehyde
FL/FR

bay oil replacer
FR

benzyl isoeugenol
FL/FR

calamus leaf oil
FR

cananga leaf oil
FR

canella bark oil
FR

carnation specialty
FR

carvomenthenol
FL/FR

beta-

caryophyllene
FL/FR

cinnamomum culilawan bark oil
FR

cinnamomum culilawan leaf oil
FR

cinnamon leaf oil ceylon
FL/FR

cinnamon leaf oil replacer
FR

cinnamyl acetate
FL/FR

clove bud absolute
FL/FR

clove bud oil
FL/FR

clove bud oleoresin
FL/FR

clove leaf absolute
FR

clove leaf oil
FL/FR

clove leaf oil terpeneless
FL/FR

clove leaf resinoid
FR

clove stem oil
FL/FR

cubeb oil
FL/FR

iso

cyclogeraniol (IFF)
FR

dianthus ethone
FR

dihydroeugenol
FL/FR

ethyl guaiacol
FL/FR

(E)-iso

eugenol
FR

iso

eugenol
FL/FR

eugenyl acetate
FL/FR

iso

eugenyl acetate
FL/FR

eugenyl benzoate
FL/FR

eugenyl isovalerate
FL/FR

eugenyl phenyl acetate
FL/FR

iso

eugenyl phenyl acetate
FL/FR

floral spice fragrance
FR

laurus nobilis leaf oil turkey
FL/FR

(E)-para-

methoxycinnamaldehyde
FL/FR

methyl eugenol
FR

methyl guaiacol
FL/FR

methyl isoeugenol
FL/FR

pimenta acris leaf oil
FL/FR

pimenta officinalis fruit extract
FR

vanilla

methyl vanillate
FL/FR

woody

cedrela wood oil
FR

methoxy-4-vinyl phenol
FL/FR

rhubarb oxirane
FR

For Flavor

No flavor group found for these

homo

anisaldehyde
FL/FR

butyl salicylate
FL/FR

cassie absolute replacer
FL/FR

ethyl linalyl ether
FL/FR

O-

ethyl S-(2-furyl methyl) thiocarbonate
FL

ortho-

eugenol
FL

eugenyl benzoate
FL/FR

iso

eugenyl butyl ether
FL/FR

eugenyl formate
FL/FR

iso

eugenyl formate
FL/FR

eugenyl isovalerate
FL/FR

eugenyl phenyl acetate
FL/FR

jasmin carnation fragrance
FL

laurus nobilis leaf oil turkey
FL/FR

dextro-

linalool
FL/FR

(E)-para-

methoxycinnamaldehyde
FL/FR

methyl furfuracrylate
FL

methyl vanillate
FL/FR

(±)-3-((2-

methyl-3-furyl)thio)-2-butanone
FL

octyl phenyl acetate
FL/FR

phenyl amyl alcohol
FL/FR

sodium ferulate
FL

aromatic

amyl salicylate
FL/FR

citrus

linalool
FL/FR

laevo-

linalool
FL/FR

cooling

iso

butyl salicylate
FL/FR

carvomenthenol
FL/FR

homo

menthyl acetate
FL/FR

floral

bois de rose oil brazil
FL/FR

cardamom absolute
FL/FR

dihydrolinalool
FL/FR

linalyl anthranilate
FL/FR

tetrahydrolinalool
FL/FR

tuberose absolute (from concrete)
FL/FR

tuberose absolute (from pommade)
FL/FR

ylang ylang flower absolute
FL/FR

fruity

cinnamyl isobutyrate
FL/FR

green

(E,E)-2,4-

hexadienal
FL

linalool oxide
FL/FR

herbal

clary sage absolute
FL/FR

3,6-

dimethyl-3-octanol
FL/FR

honey

phenyl acetaldehyde
FL/FR

medicinal,

phenethyl salicylate
FL/FR

smoky

methoxy-4-vinyl phenol
FL/FR

spicy

allspice berry absolute
FL/FR

allspice berry oil
FL/FR

allspice berry oil terpeneless
FL/FR

allspice flavor
FL

allspice leaf oil
FL/FR

allspice leaf oil terpeneless
FL/FR

allspice oil
FL/FR

allspice oleoresin
FL/FR

benzyl isoeugenol
FL/FR

beta-

caryophyllene
FL/FR

cassie absolute
FL/FR

cinnamon leaf oil ceylon
FL/FR

cinnamyl acetate
FL/FR

clove bud absolute
FL/FR

clove bud oil
FL/FR

clove bud oleoresin
FL/FR

clove leaf oil
FL/FR

clove leaf oil terpeneless
FL/FR

clove stem oil
FL/FR

cubeb oil
FL/FR

dihydroeugenol
FL/FR

iso

eugenol
FL/FR

eugenyl acetate
FL/FR

iso

eugenyl acetate
FL/FR

iso

eugenyl phenyl acetate
FL/FR

methyl biphenyl
FL

methyl guaiacol
FL/FR

methyl isoeugenol
FL/FR

pimenta acris leaf oil
FL/FR

woody

ethyl guaiacol
FL/FR

(Z)-

jasmone
FL/FR

Potential Uses:

FR	balsam
FR	cassia
FR	cinnamon
FR	clove
FR	davana oil replacer
FR	oriental
FR	spice
FR	tonka bean

Occurrence (nature, food, other):

not found in nature

Synonyms:

	benzene, 1-ethoxy-2-methoxy-4- (1-propenyl)-
	benzene, 1-ethoxy-2-methoxy-4-[(1E)-1-propen-1-yl]-
	benzene, 1-ethoxy-2-methoxy-4-propenyl-
1-	ethoxy-2-methoxy-4-(1-propenyl) benzene
1-	ethoxy-2-methoxy-4-(prop-1-enyl)benzene
1-	ethoxy-2-methoxy-4-[(1E)-prop-1-en-1-yl]benzene
1-	ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
1-	ethoxy-2-methoxy-4-propen-1-yl benzene
1-	ethoxy-2-methoxy-4-propenyl benzene
2-	ethoxy-5-propenyl anisole
2-	ethoxy-5-propenylanisole
iso	eugenyl ethyl ether
iso-	eugenyl ethyl ether
2-	methoxy-4-prop-1-enyl phenetole

Articles:

None found yet. Try the PubMed Search.

CONTENTS

EU/US Properties Organoleptic EU/US Suppliers Safety Safety in use Safety reference References Other Blenders Uses Occurrence Synonyms Articles