EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Sponsors

Name:methyl (2E,4E)-hexa-2,4-dienoate
CAS Number: 689-89-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-712-8
FDA UNII:J3048615R1
Nikkaji Web:J184.214E
MDL:MFCD00038319
XlogP3-AA:1.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
The JECFA evaluated methyl sorbate (CASrn as in Register). CASrn in Register refers to the (E,E)-enantiomer. Register name to be changed to Methyl (E,E)-hexa-2,4-dienoic acid.
Category:flavoring agents
 
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
FLAVIS Number:09.300 (Old)
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: METHYL SORBATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 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 mm/Hg @ 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:
Odor Type: fruity
Odor Strength:medium
pungent fruity licorice
Odor Description:at 100.00 %. pungent fruity licorice
sweet fruity brown spicy green anise
Odor Description:Sweet, fruity, brown, with a spicy green anise nuance
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
Flavor Type: fruity
fruity sweet brown vanilla nutty
Taste Description: at 20.00 ppm. Fruity, sweet, brown, vanilla and nutty
Mosciano, Gerard P&F 18, No. 2, 38, (1993)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Apiscent Labs
METHYL SORBATE (METHYL T2 T4 HEXADIENOATE)
Odor: Pungent, sweet anise or licorice
BOC Sciences
For experimental / research use only.
Methyl Sorbate
ECSA Chemicals
Methyl Sorbate
Company Profile
Grau Aromatics
METHYL-SORBATE
NI, Kosher
Penta International
METHYL SORBATE, Kosher
SRS Aromatics
METHYL SORBATE
 
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)
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
 average usual ppmaverage 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

EPI System: View
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 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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 note
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
2-
phenyl propyl alcohol
FL/FR
bready
furfural
FL/FR
caramellic
caramel pentadione
FL/FR
maltyl propionate
FL/FR
maple furanone
FL/FR
5-
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
2-
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
2-
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
2-
octen-1-ol
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
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
2-
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
2-
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
4-
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
rose absolute (rosa damascena) bulgaria
FL/FR
tarragon oil replacer
FL/FR
4,4'-
thiobis-2-butanone
FL
acidic
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
5-
methyl furfural
FL/FR
tetrahydrofurfuryl acetate
FL/FR
buttery
butter nut vanilla flavor
FL
butter vanilla nut flavor
FL
caramellic
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
4-
hydroxybenzaldehyde
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
ethereal
ethyl acetate
FL/FR
4-
hexen-3-one
FL
fatty
2-
ethyl-1-hexanol
FL/FR
2-
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 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
2-
furyl pentyl ketone
FL
2-
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
clary sage absolute
FL/FR
(E)-2-
heptenal
FL
hexyl isobutyrate
FL/FR
methyl heptadienone
FL/FR
2-
phenyl propyl alcohol
FL/FR
herbal
anethum graveolens herb oil
FL/FR
wild
carrot seed oil terpeneless
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
2-
butyl-3-methyl pyrazine
FL
estragole
FL/FR
ocimum basilicum herb oil vietnam
FL/FR
ocimum basilicum leaf oil terpeneless
FL/FR
nutty
2-
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
hop oil CO2 extract
FL/FR
murraya koenigii leaf oil india
FL/FR
2-
octanol
FL/FR
annus
wormwood oil vietnam
FL/FR
sulfurous
S-
ethyl thioacetate
FL
sweet
agave flavor
FL
caramel dione
FL
tarragon
sassafras acetate
FL/FR
tropical
propyl propionate
FL/FR
vanilla
vanilla nut creme flavor
FL
waxy
ethyl decanoate
FL/FR
 
Potential Uses:
FLanise
FLlicorice
FLprune
FLraisin
FRtobacco
FLvanilla
 
Occurrence (nature, food, other):note
 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)-
 
 
Notes:
None found
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