alpha-amyl cinnamyl isovalerate

flavor and fragrance agents

2D:
3D:
CAS Number:	7493-80-3
FDA UNII:	ZR2O0NCP37
CoE Number:	463
Category:	flavor and fragrance agents
IUPAC Name:	alpha-amyl cinnamyl isovalerate
InChI :	InChI=1/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3
Std.InChI:	InChI=1S/C19H28O2/c1-4-5-7-12-18(14-17-10-8-6-9-11-17)15-21-19(20)13-16(2)3/h6,8-11,14,16H,4-5,7,12-13,15H2,1-3H3
InChIKey :	RNKTVAMGERKTEZ-UHFFFAOYAS
Std.InChIKey:	RNKTVAMGERKTEZ-UHFFFAOYSA-N
SMILES :	CC(C)CC(=O)OCC(=Cc1ccccc1)CCCCC
Molar Refractivity :	90.04 ± 0.3 cm3 (est)
Parachor :	726.3 ± 4.0 cm3 (est)
Index of Refraction :	1.513 ± 0.02 (est)
Surface Tension :	34.7 ± 3.0 dyne/cm (est)
Density :	0.964 ± 0.06 g/cm3 (est)
Polarizability :	35.69 ± 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
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	678 alpha-amylcinnamyl isovalerate
DG SANTE Food Flavourings:	09.468 alpha-pentylcinnamyl isovalerate
FEMA Number:	2067 alpha-amylcinnamyl isovalerate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	7493-80-3 ; ALPHA-AMYLCINNAMYL ISOVALERATE
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:	colorless clear liquid (est)
Assay:	97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Specific Gravity:	0.93900 to 0.95900 @ 25.00 °C.
Pounds per Gallon - (est).:	7.813 to 7.980
Refractive Index:	1.49800 to 1.50800 @ 20.00 °C.
Boiling Point:	392.00 to 393.00 °C. @ 760.00 mm Hg (est)
Boiling Point:	171.00 °C. @ 4.00 mm Hg
Flash Point:	253.00 °F. TCC ( 122.78 °C. )
logP (o/w):	6.470 (est)
Soluble in:
	alcohol
	water, 0.02419 mg/L @ 25 °C (est)
Insoluble in:
	water
Similar Items:note
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
alpha-amyl cinnamyl formate

Organoleptic Properties:

fruity tobacco oily hay oily fruity hay spicy

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

alpha-Amyl Cinnamyl Isovalerate

Parchem

alpha-Amyl Cinnamyl Isovalerate

Penta International

ALPHA-AMYLCINNAMYL ISOVALERATE

Synerzine

alpha-Amylcinnamyl Isovalerate

Safety Information:


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 alpha-amyl cinnamyl isovalerate usage levels up to:
	8.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.50 (μg/capita/day)
Structure Class:		II
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:		-	1.70000
beverages(nonalcoholic):		-	0.36000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	1.00000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	1.20000
fruit ices:		-	1.20000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	1.30000
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):

Flavouring Group Evaluation 214: alpha,beta-Unsaturated aldehydes and precursors from chemical subgroup 3.1 of FGE.19: Cinnamyl derivatives[1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008)
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

National Institute of Allergy and Infectious Diseases:Data

2-(phenylmethylidene)heptyl 3-methylbutanoate

Chemidplus:0007493803

[(2E)-2-(phenylmethylidene)heptyl] 3-methylbutanoate

[(2Z)-2-(phenylmethylidene)heptyl] 3-methylbutanoate

References:

	2-(phenylmethylidene)heptyl 3-methylbutanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	7493-80-3
Pubchem (sid):	135019027
	[(2E)-2-(phenylmethylidene)heptyl] 3-methylbutanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	7493-80-3
	[(2Z)-2-(phenylmethylidene)heptyl] 3-methylbutanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	7493-80-3
Pubchem (cid):	6435835
Pubchem (sid):	135019027

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
HMDB (The Human Metabolome Database):	HMDB36205
FooDB:	FDB015063
Export Tariff Code:	2915.60.0000
ChemSpider:	View

Potential Blenders and core components :

For Odor

No odor group found for these

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-one
FL/FR

amber

ambrette seed absolute
FL/FR

animal

para-

cresyl caprylate
FL/FR

methyl quinoline
FL/FR

anisic

amyl furoate
FL/FR

balsamic

amyl phenyl acetate
FL/FR

benzyl cinnamate
FL/FR

camphoreous

beta-homo

cyclocitral
FL/FR

caramellic

immortelle absolute
FL/FR

cereal

bran absolute
FR

citrus

heptanol
FL/FR

verbena absolute france
FL/FR

coconut

gamma-

heptalactone
FL/FR

coumarinic

coumane
FL/FR

tonka furanone
FL/FR

earthy

octen-2-one
FL/FR

ethereal

acetaldehyde dimethyl acetal
FL/FR

fatty

butyl undecylenate
FL/FR

(E,Z,Z)-2,4,7-

tridecatrienal
FL/FR

fermented

methyl decanoate
FL/FR

floral

acetal 318
FR

iso

amyl angelate
FL/FR

alpha-

amyl cinnamaldehyde
FL/FR

iso

amyl geranate
FR

para-

anisyl nitrile
FR

benzyl acetate
FL/FR

benzyl acetoacetate
FL/FR

benzyl formate
FL/FR

benzyl isobutyrate
FL/FR

boronia butenal
FR

delta-

damascone
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

geraniol
FL/FR

jasmin lactone (IFF)
FL/FR

menthadienyl formate
FR

methoxymelonal
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

mimosa absolute
FL/FR

mimosa absolute france
FL/FR

mimosa absolute india
FL/FR

muguet carbinol
FL/FR

ocean propanal
FL/FR

petitgrain lemon oil
FL/FR

phenethyl isobutyrate
FL/FR

phenethyl isovalerate
FL/FR

tobacco flower absolute
FR

fruity

iso

amyl octanoate
FL/FR

butyl 2-decenoate
FL/FR

cherry oxyacetate
FL/FR

cyclohexanone diethyl acetal
FL/FR

beta-

damascone
FL/FR

(Z)-beta-

damascone
FL/FR

(E)-beta-

damascone
FL/FR

dibutyl sebacate
FL/FR

eriocephalus punctulatus flower oil
FR

ethyl 3-hydroxyhexanoate
FL/FR

geranyl isovalerate
FL/FR

leather propionate
FR

mercaptohexyl acetate
FL/FR

methyl nonane dione
FL/FR

phenoxyethyl propionate
FL/FR

rhubarb pyran
FR

solanone
FL/FR

fungal

methyl 2-furoate
FL/FR

green

iso

amyl 3-(2-furan) propionate
FL/FR

para-

dimethyl hydroquinone
FL/FR

(E)-2-

hexen-1-yl butyrate
FL/FR

(E)-2-

hexen-1-yl isovalerate
FL/FR

(E)-2-

hexen-1-yl propionate
FL/FR

hexoxyacetaldehyde dimethyl acetal
FR

magnolia flower oil
FL/FR

melon nonenoate
FL/FR

3,5,5-

trimethyl hexanol
FL/FR

hay

beeswax absolute
FL/FR

hay absolute
FR

para-

methyl phenoxyacetaldehyde
FR

tobacco leaf absolute
FL/FR

woodruff absolute
FR

herbal

acorn acetate
FR

chamomile valerate
FR

clary propyl acetate
FR

clary sage absolute
FL/FR

matricaria chamomilla flower oil
FL/FR

methyl cyclogeranate (Firmenich)
FR

methyl nicotinate
FL/FR

octen-3-yl acetate
FL/FR

beta-

pinene
FL/FR

laevo-beta-

pinene
FL/FR

saffron indenone
FL/FR

safranal
FL/FR

theaspirane
FL/FR

yerba mate absolute
FL/FR

honey

phenyl acetic acid
FL/FR

mossy

oakmoss phenol
FR

musk

musk nonane
FR

musty

ketoiso

phorone
FL/FR

nutty

acetyl-5-methyl furan
FL/FR

oily

petal pyranone
FL/FR

phenolic

2'-

hydroxyacetophenone
FL/FR

popcorn

acetyl pyridine
FL/FR

spicy

N,N-

diethyl octanamide
FR

terpenic

D-(+)-beta-

pinene
FL/FR

tobacco

para-

cresyl isovalerate
FL/FR

ethyl pyridine
FL/FR

methyl benzoxole
FL/FR

(E,E/E,Z)-

tobacco cyclohexenone
FL/FR

veltonal (Bedoukian)
FR

tonka

coumarin
FR

deertongue absolute
FR

flouve absolute
FR

gamma-

hexalactone
FL/FR

mint lactone
FL/FR

saffron resinoid
FL/FR

tonka undecanone
FR

vanilla

propenyl guaethol
FL/FR

woody

amber decatriene
FR

alpha-

cedrene epoxide
FR

iso

longifolene ketone
FR

tobacarol (IFF)
FR

tobacco nonene
FR

woody dioxolane
FR

woody ether
FR

For Flavor

No flavor group found for these

amyl angelate
FL

iso

amyl angelate
FL/FR

amyl furoate
FL/FR

amyl phenyl acetate
FL/FR

coumane
FL/FR

cyclohexanone diethyl acetal
FL/FR

dibutyl sebacate
FL/FR

2,4-

difurfuryl furan
FL

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-one
FL/FR

fig leaf absolute
FL

jasmin lactone (IFF)
FL/FR

magnolia flower oil
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

methyl nicotinate
FL/FR

methyl nonane dione
FL/FR

laevo-beta-

pinene
FL/FR

D-(+)-beta-

pinene
FL/FR

propyl pyridine
FL

solanone
FL/FR

taraxacum officinale leaf extract
FL

tonka furanone
FL/FR

iso

amyl 3-(2-furan) propionate
FL/FR

benzyl acetoacetate
FL/FR

beta-

damascone
FL/FR

animal

para-

cresyl caprylate
FL/FR

methyl quinoline
FL/FR

bitter

(E,Z,Z)-2,4,7-

tridecatrienal
FL/FR

brown

beeswax absolute
FL/FR

caramellic

ethyl pyridine
FL/FR

methyl 2-furoate
FL/FR

citrus

petitgrain lemon oil
FL/FR

ketoiso

phorone
FL/FR

verbena absolute france
FL/FR

cooling

beta-homo

cyclocitral
FL/FR

theaspirane
FL/FR

corn

acetyl pyridine
FL/FR

creamy

gamma-

hexalactone
FL/FR

mint lactone
FL/FR

octen-2-one
FL/FR

ethereal

acetaldehyde dimethyl acetal
FL/FR

fatty

methyl decanoate
FL/FR

floral

dimethyl benzyl carbinyl acetate
FL/FR

geraniol
FL/FR

muguet carbinol
FL/FR

ocean propanal
FL/FR

phenyl acetic acid
FL/FR

fruity

iso

amyl octanoate
FL/FR

benzyl acetate
FL/FR

benzyl formate
FL/FR

benzyl isobutyrate
FL/FR

butyl 2-decenoate
FL/FR

cherry oxyacetate
FL/FR

(E)-beta-

damascone
FL/FR

(Z)-beta-

damascone
FL/FR

(E)-2-

decenoic acid
FL

ethyl 3-hydroxyhexanoate
FL/FR

heptanol
FL/FR

hexyl-4-acetoxytetrahydrofuran
FL

methoxymelonal
FL/FR

phenethyl isovalerate
FL/FR

grassy

tobacco leaf absolute
FL/FR

green

para-

dimethyl hydroquinone
FL/FR

geranyl isovalerate
FL/FR

(E)-2-

hexen-1-yl butyrate
FL/FR

(E)-2-

hexen-1-yl isovalerate
FL/FR

(E)-2-

hexen-1-yl propionate
FL/FR

immortelle absolute
FL/FR

melon nonenoate
FL/FR

methyl 2-undecynoate
FL

octen-3-yl acetate
FL/FR

3,5,5-

trimethyl hexanol
FL/FR

hay

lactadione
FL

herbal

clary sage absolute
FL/FR

matricaria chamomilla flower oil
FL/FR

saffron indenone
FL/FR

yerba mate absolute
FL/FR

honey

phenethyl isobutyrate
FL/FR

lactonic

gamma-

heptalactone
FL/FR

naphthyl

2'-

hydroxyacetophenone
FL/FR

nutty

acetyl-5-methyl furan
FL/FR

methyl benzoxole
FL/FR

(E,E/E,Z)-

tobacco cyclohexenone
FL/FR

oily

petal pyranone
FL/FR

phenolic

para-

cresyl isovalerate
FL/FR

pine

beta-

pinene
FL/FR

spicy

benzyl cinnamate
FL/FR

jalapeno oleoresin
FL

paprika oleoresin
FL

sweet

saffron resinoid
FL/FR

tropical

alpha-

amyl cinnamaldehyde
FL/FR

mercaptohexyl acetate
FL/FR

vanilla

propenyl guaethol
FL/FR

Potential Uses:

FR	amber
FR	chocolate
FL	fruit tropical fruit
FR	hay new mown hay
FR	jasmin
FR	moss
FR	musk
FL	nut
FR	tobacco
FR	tonka bean
FL	tropical

Occurrence (nature, food, other):

not found in nature

Synonyms:

alpha-	amyl cinnamyl isovalerianate
alpha-N-	amyl-beta-phenyl acryl 3-methyl butanoate
alpha-N-	amyl-beta-phenyl acryl isovalerate
alpha-	amylcinnamyl isovalerate
alpha-	amylcinnamyl isovalerianate
	floxin isovalerate
alpha-	pentyl cinnamyl isovalerate
alpha-	pentyl cinnamyl isovalerianate
a-	pentylcinnamyl isovalerate
alpha-	pentylcinnamyl isovalerate
alpha-	pentylcinnamyl isovalerianate
2-(	phenylmethylene)heptyl 3-methylbutanoate
2-(	phenylmethylidene)heptyl 3-methylbutanoate

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