(E,E)-methyl sorbate

flavoring agents

2D:
3D:
CAS Number:	689-89-4
ECHA EC Number:	211-712-8
FDA UNII:	J3048615R1
Category:	flavoring agents
IUPAC Name:	(E,E)-methyl sorbate
InChI :	InChI=1/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
Std.InChI:	InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
InChIKey :	KWKVAGQCDSHWFK-VNKDHWASBQ
Std.InChIKey:	KWKVAGQCDSHWFK-VNKDHWASSA-N
SMILES :	C/C=C/C=C/C(=O)OC
MDL:	MFCD00038319
Molar Refractivity :	36.36 ± 0.3 cm3 (est)
Parachor :	309.8 ± 4.0 cm3 (est)
Index of Refraction :	1.452 ± 0.02 (est)
Surface Tension :	27.9 ± 3.0 dyne/cm (est)
Density :	0.935 ± 0.06 g/cm3 (est)
Polarizability :	14.41 ± 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:	1177 methyl sorbate
DG SANTE Food Flavourings:	09.300 methyl (E,E)-hexa-2,4-dienoate
FEMA Number:	3714 methyl sorbate
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	689-89-4 ; METHYL SORBATE

Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	99.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.93300 to 0.93800 @ 25.00 °C.
Pounds per Gallon - (est).:	7.763 to 7.805
Refractive Index:	1.50100 to 1.50500 @ 20.00 °C.
Melting Point:	12.00 to 15.00 °C. @ 760.00 mm Hg
Boiling Point:	180.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.915000 mmHg @ 25.00 °C. (est)
Flash Point:	158.00 °F. TCC ( 70.00 °C. )
logP (o/w):	1.861 (est)
Soluble in:
	alcohol
	water, 2236 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

pungent fruity licorice sweet fruity brown spicy green anise fruity sweet brown vanilla nutty

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Methyl Sorbate

Grau Aromatics

METHYL-SORBATE

NI, Kosher

Kingchem Laboratories

METHYL SORBATE (METHYL T2 T4 HEXADIENOATE)

Odor: Pungent, sweet anise or licorice

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:
flavoring agents
Recommendation for (E,E)-methyl sorbate usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.097 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		ND (μg/capita/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I
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: 13
Click here to view publication 13
		average usual ppm	average maximum ppm
baked goods:		-	10.00000
beverages(nonalcoholic):		-	0.50000
beverages(alcoholic):		-	2.50000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	2.50000
fruit ices:		-	-
gelatins / puddings:		-	2.50000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	5.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	5.00000
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 70 (FGE.70): Consideration of aliphatic, alicyclic, linear, alpha,beta-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st meeting)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,�-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting)
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):689-89-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5323650

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

methyl (2E,4E)-hexa-2,4-dienoate

Chemidplus:0000689894

References:

	methyl (2E,4E)-hexa-2,4-dienoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	689-89-4
Pubchem (cid):	5323650
Pubchem (sid):	135018590

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):	HMDB29582
FooDB:	FDB000739
Export Tariff Code:	2916.19.4000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

For Odor

anise

anise oleoresin
FL/FR

anise seed oil
FL/FR

star

anise seed oil china
FL/FR

sweet

fennel absolute
FL/FR

sweet

fennel oleoresin
FL/FR

sweet

fennel seed oil
FL/FR

foeniculum vulgare fruit extract
FL/FR

foeniculum vulgare mill. var. dulce d.c. fruit extract
FL/FR

anisic

dihydroanethol
FL/FR

estragole
FL/FR

ethyl para-anisate
FL/FR

ocimum basilicum herb oil
FL/FR

ocimum basilicum herb oil egypt
FL/FR

ocimum basilicum leaf oil america
FL/FR

ocimum basilicum leaf oil CO2 extract
FL/FR

ocimum basilicum leaf oil india
FL/FR

sassafras acetate
FL/FR

balsamic

(E)-

cinnamyl alcohol
FL/FR

guaiyl acetate
FL/FR

phenyl propyl alcohol
FL/FR

bready

furfural
FL/FR

caramellic

caramel pentadione
FL/FR

maltyl propionate
FL/FR

maple furanone
FL/FR

methyl furfural
FL/FR

shoyu furanone
FL/FR

strawberry furanone
FL/FR

chemical

iso

butyl formate
FL/FR

propyl propionate
FL/FR

citrus

bergamot oil
FL/FR

bergamot oil bergaptene reduced italy
FL/FR

bergamot oil turkey
FL/FR

ethyl-1-hexanol
FL/FR

ethereal

ethyl acetate
FL/FR

iso

propyl formate
FL/FR

fatty

(R)-gamma-

octalactone
FL/FR

floral

acetophenone
FL/FR

benzyl isobutyrate
FL/FR

citronellyl anthranilate
FL/FR

geranium oil
FL/FR

geranium oil bourbon
FL/FR

rose absolute (rosa damascena) bulgaria
FL/FR

rose oil (rosa damascena) russia
FL/FR

rose oil (rosa damascena) turkey
FL/FR

terpinyl valerate
FL/FR

fruity

iso

butyl acetoacetate
FL/FR

cinnamyl hexanoate
FL/FR

ethyl 3-(2-furyl) propanoate
FL/FR

ethyl 3-hydroxyhexanoate
FL/FR

ethyl benzoyl acetate
FL/FR

ethyl butyrate
FL/FR

ethyl isovalerate
FL/FR

ethyl lactate
FL/FR

ethyl propionate
FL/FR

(E,E)-

ethyl sorbate
FL/FR

hexen-1-ol
FL/FR

linalyl isobutyrate
FL/FR

menthyl isovalerate
FL/FR

methyl anthranilate
FL/FR

methyl heptanoate
FL/FR

iso

propyl 2-methyl butyrate
FL/FR

propyl butyrate
FL/FR

propyl hexanoate
FL/FR

iso

propyl octanoate
FL/FR

strawberry glycidate 2
FL/FR

tetrahydrofurfuryl acetate
FL/FR

tropical ionone
FL/FR

gamma-

undecalactone (aldehyde C-14 (so-called))
FL/FR

vanilla carboxylate
FL/FR

green

hexyl isobutyrate
FL/FR

hop oil CO2 extract
FL/FR

murraya koenigii leaf oil india
FL/FR

(E)-2-

octen-1-ol
FL/FR

herbal

anethum graveolens herb oil
FL/FR

anethum graveolens herb tincture
FL/FR

wild

carrot seed oil terpeneless
FL/FR

celery ketone
FL/FR

clary sage absolute
FL/FR

daucus carota fruit oil
FL/FR

dill weed oil cuba
FL/FR

dill weed oil reunion
FL/FR

hop absolute
FL/FR

hop oil
FL/FR

lovage tincture
FL/FR

curled

parsley seed oil
FL/FR

perilla leaf oil
FL/FR

petroselinum crispum seed oil CO2 extract
FL/FR

thyme absolute
FL/FR

licorice

(E)-

anethol
FL/FR

ocimum basilicum herb oil vietnam
FL/FR

ocimum basilicum leaf oil terpeneless
FL/FR

minty

carvone
FL/FR

bitter

fennel seed oil lithuania
CS

musty

acetyl pyrrole
FL/FR

spicy

iso

butyl angelate
FL/FR

cinnamaldehyde dimethyl acetal
FL/FR

cumin seed absolute
FL/FR

cuminaldehyde
FL/FR

black

currant bud absolute
FL/FR

methyl heptadienone
FL/FR

octanol
FL/FR

(E)-

propyl 2-furan acrylate
FL/FR

tarragon oil replacer
FL/FR

annus

wormwood oil vietnam
FL/FR

sulfurous

lychee mercaptan acetate
FL/FR

waxy

ethyl decanoate
FL/FR

woody

hydroxybenzaldehyde
FL/FR

For Flavor

No flavor group found for these

anethol
FL/FR

carvone
FL/FR

(E)-

cinnamyl alcohol
FL/FR

cinnamyl hexanoate
FL/FR

guaiyl acetate
FL/FR

(R)-gamma-

octalactone
FL/FR

perilla leaf oil
FL/FR

4,4'-

thiobis-2-butanone
FL

acidic

(E)-2-

hexenoic acid
FL

anise

(E)-

anethol
FL/FR

anise oleoresin
FL/FR

anise seed oil
FL/FR

star

anise seed oil china
FL/FR

ethyl para-anisate
FL/FR

sweet

fennel absolute
FL/FR

sweet

fennel oleoresin
FL/FR

sweet

fennel seed
FL

sweet

fennel seed oil
FL/FR

foeniculum vulgare fruit
FL

foeniculum vulgare fruit extract
FL/FR

foeniculum vulgare mill. var. dulce d.c. fruit extract
FL/FR

anisic

ocimum basilicum herb oil egypt
FL/FR

brown

furfural
FL/FR

methyl furfural
FL/FR

tetrahydrofurfuryl acetate
FL/FR

buttery

butter nut vanilla flavor
FL

butter vanilla nut flavor
FL

caramellic

caramel dione
FL

caramel pentadione
FL/FR

maltyl propionate
FL/FR

maple furanone
FL/FR

shoyu furanone
FL/FR

strawberry furanone
FL/FR

citrus

bergamot oil
FL/FR

bergamot oil bergaptene reduced italy
FL/FR

bergamot oil turkey
FL/FR

creamy

hydroxybenzaldehyde
FL/FR

gamma-

undecalactone (aldehyde C-14 (so-called))
FL/FR

ethereal

ethyl acetate
FL/FR

hexen-3-one
FL

fatty

ethyl-1-hexanol
FL/FR

octen-1-ol
FL/FR

(E)-2-

octen-1-ol
FL/FR

floral

geranium oil
FL/FR

geranium oil bourbon
FL/FR

linalyl isobutyrate
FL/FR

rose absolute (rosa damascena) bulgaria
FL/FR

rose oil (rosa damascena) russia
FL/FR

rose oil (rosa damascena) turkey
FL/FR

tropical ionone
FL/FR

fruity

benzyl isobutyrate
FL/FR

iso

butyl acetoacetate
FL/FR

citronellyl anthranilate
FL/FR

ethyl 3-(2-furyl) propanoate
FL/FR

ethyl 3-hydroxyhexanoate
FL/FR

ethyl benzoyl acetate
FL/FR

ethyl butyrate
FL/FR

ethyl isovalerate
FL/FR

ethyl lactate
FL/FR

ethyl propionate
FL/FR

(E,E)-

ethyl sorbate
FL/FR

furyl pentyl ketone
FL

hexen-1-ol
FL/FR

menthyl isovalerate
FL/FR

methyl anthranilate
FL/FR

methyl heptanoate
FL/FR

(E)-

propyl 2-furan acrylate
FL/FR

iso

propyl 2-methyl butyrate
FL/FR

propyl butyrate
FL/FR

iso

propyl formate
FL/FR

propyl hexanoate
FL/FR

iso

propyl octanoate
FL/FR

strawberry glycidate 2
FL/FR

terpinyl valerate
FL/FR

vanilla carboxylate
FL/FR

green

anethum graveolens herb tincture
FL/FR

iso

butyl angelate
FL/FR

celery ketone
FL/FR

(E)-2-

heptenal
FL

hexyl isobutyrate
FL/FR

methyl heptadienone
FL/FR

phenyl propyl alcohol
FL/FR

herbal

anethum graveolens herb oil
FL/FR

wild

carrot seed oil terpeneless
FL/FR

clary sage absolute
FL/FR

daucus carota fruit oil
FL/FR

dihydroanethol
FL/FR

dill weed oil cuba
FL/FR

dill weed oil reunion
FL/FR

hop absolute
FL/FR

hop oil
FL/FR

lovage tincture
FL/FR

ocimum basilicum herb oil
FL/FR

ocimum basilicum leaf oil america
FL/FR

ocimum basilicum leaf oil CO2 extract
FL/FR

ocimum basilicum leaf oil india
FL/FR

curled

parsley seed oil
FL/FR

petroselinum crispum seed oil CO2 extract
FL/FR

thyme absolute
FL/FR

juicy

lychee mercaptan acetate
FL/FR

licorice

butyl-3-methyl pyrazine
FL

estragole
FL/FR

ocimum basilicum herb oil vietnam
FL/FR

ocimum basilicum leaf oil terpeneless
FL/FR

nutty

acetyl pyrrole
FL/FR

powdery

acetophenone
FL/FR

rummy

iso

butyl formate
FL/FR

spicy

cinnamaldehyde dimethyl acetal
FL/FR

cumin seed absolute
FL/FR

cuminaldehyde
FL/FR

black

currant bud absolute
FL/FR

Potential Uses:

FL	anise
FL	licorice
FL	prune
FL	raisin
FR	tobacco
FL	vanilla

Occurrence (nature, food, other):

pineapple fruit
Search Trop Picture

Synonyms:

(E,E)-2,4-	hexadienoic acid methyl ester
2,4-	hexadienoic acid, methyl ester, (2E,4E)-
2,4-	hexadienoic acid, methyl ester, (E,E)-
	methyl (2E,4E)-hexa-2,4-dienoate
	methyl (2E,4E)-hexadienoate
	methyl (E,E)-2,4-hexadienoate
	methyl (E,E)-hexa-2,4-dienoate
	methyl (E),(E)-2,4-hexadienoate
	methyl 2,4-hexadienoate, (E,E)-
(2E,4E)-	methyl hexa-2,4-dienoate
2-trans,4-trans-	methyl sorbate
	methyl sorbate (methyl T2 T4 hexadienoate)
	methyl-sorbate
(E,E)-	sorbic acid methyl ester
	sorbic acid, methyl ester, (E,E)-

Articles:

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CONTENTS

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