(E,E)-methyl sorbate
methyl (E,E)-hexa-2,4-dienoate
 
Notes:
None found
  • BOC Sciences
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  • ECSA Chemicals
    • ECSA Chemicals
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  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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Synonyms   Articles   Notes   Search
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
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
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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
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Methyl Sorbate
ECSA Chemicals
Methyl Sorbate
ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY
Grau Aromatics
METHYL-SORBATE
NI, Kosher
Kingchem Laboratories
METHYL SORBATE (METHYL T2 T4 HEXADIENOATE)
Odor: Pungent, sweet anise or licorice
Penta International
METHYL SORBATE
SRS Aromatics
METHYL SORBATE
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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
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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 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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf
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
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
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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
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 dehydro-ar-ionene 
anise
 anise oleoresinFL/FR
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
sweet fennel absoluteFL/FR
sweet fennel oleoresinFL/FR
sweet fennel seed oilFL/FR
 foeniculum vulgare fruit extractFL/FR
 foeniculum vulgare mill. var. dulce d.c. fruit extractFL/FR
anisic
 dihydroanetholFL/FR
 estragoleFL/FR
 ethyl para-anisateFL/FR
 ocimum basilicum herb oilFL/FR
 ocimum basilicum herb oil egyptFL/FR
 ocimum basilicum leaf oil americaFL/FR
 ocimum basilicum leaf oil CO2 extractFL/FR
 ocimum basilicum leaf oil indiaFL/FR
 sassafras acetateFL/FR
balsamic
(E)-cinnamyl alcoholFL/FR
 guaiyl acetateFL/FR
2-phenyl propyl alcoholFL/FR
bready
 furfuralFL/FR
 caramel pentadioneFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
5-methyl furfuralFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
chemical
isobutyl formateFL/FR
 propyl propionateFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
2-ethyl-1-hexanolFL/FR
ethereal
 ethyl acetateFL/FR
isopropyl formateFL/FR
fatty
(R)-gamma-octalactoneFL/FR
floral
 acetophenoneFL/FR
 benzyl isobutyrateFL/FR
 citronellyl anthranilateFL/FR
 geranium oilFL/FR
 geranium oil bourbonFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) russiaFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 terpinyl valerateFL/FR
fruity
isobutyl acetoacetateFL/FR
 cinnamyl hexanoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
2-hexen-1-olFL/FR
 linalyl isobutyrateFL/FR
 menthyl isovalerateFL/FR
 methyl anthranilateFL/FR
 methyl heptanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
 propyl hexanoateFL/FR
isopropyl octanoateFL/FR
 strawberry glycidate 2FL/FR
 tetrahydrofurfuryl acetateFL/FR
 tropical iononeFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
 vanilla carboxylateFL/FR
 hexyl isobutyrateFL/FR
 hop oil CO2 extractFL/FR
 murraya koenigii leaf oil indiaFL/FR
(E)-2-octen-1-olFL/FR
2-octen-1-olFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anethum graveolens herb tinctureFL/FR
wild carrot seed oil terpenelessFL/FR
 celery ketoneFL/FR
 clary sage absoluteFL/FR
 daucus carota fruit oilFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 lovage tinctureFL/FR
curled parsley seed oilFL/FR
 perilla leaf oilFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 thyme absoluteFL/FR
licorice
(E)-anetholFL/FR
 anetholFL/FR
 ocimum basilicum herb oil vietnamFL/FR
 ocimum basilicum leaf oil terpenelessFL/FR
minty
 carvoneFL/FR
bitter fennel flower oil lithuania 
bitter fennel seed oil lithuaniaCS
musty
2-acetyl pyrroleFL/FR
spicy
isobutyl angelateFL/FR
 cinnamaldehyde dimethyl acetalFL/FR
 cumin seed absoluteFL/FR
 cuminaldehydeFL/FR
black currant bud absoluteFL/FR
 methyl heptadienoneFL/FR
2-octanolFL/FR
(E)-propyl 2-furan acrylateFL/FR
 tarragon oil replacerFL/FR
annus wormwood oil vietnamFL/FR
 lychee mercaptan acetateFL/FR
waxy
 ethyl decanoateFL/FR
woody
4-hydroxybenzaldehydeFL/FR
 
For Flavor
 
No flavor group found for these
 anetholFL/FR
 carvoneFL/FR
(E)-cinnamyl alcoholFL/FR
 cinnamyl hexanoateFL/FR
 dehydro-ar-ionene 
bitter fennel flower oil lithuania 
 guaiyl acetateFL/FR
(R)-gamma-octalactoneFL/FR
 perilla leaf oilFL/FR
4,4'-thiobis-2-butanoneFL
acidic
(E)-2-hexenoic acidFL
anise
(E)-anetholFL/FR
 anise oleoresinFL/FR
 anise seed oilFL/FR
star anise seed oil chinaFL/FR
 ethyl para-anisateFL/FR
sweet fennel absoluteFL/FR
sweet fennel oleoresinFL/FR
sweet fennel seedFL
sweet fennel seed oilFL/FR
 foeniculum vulgare fruitFL
 foeniculum vulgare fruit extractFL/FR
 foeniculum vulgare mill. var. dulce d.c. fruit extractFL/FR
anisic
 ocimum basilicum herb oil egyptFL/FR
brown
 furfuralFL/FR
5-methyl furfuralFL/FR
 tetrahydrofurfuryl acetateFL/FR
buttery
 butter nut vanilla flavorFL
 butter vanilla nut flavorFL
caramellic
 caramel pentadioneFL/FR
 maltyl propionateFL/FR
 maple furanoneFL/FR
 shoyu furanoneFL/FR
 strawberry furanoneFL/FR
citrus
 bergamot oilFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bergamot oil turkeyFL/FR
creamy
4-hydroxybenzaldehydeFL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
ethereal
 ethyl acetateFL/FR
4-hexen-3-oneFL
fatty
2-ethyl-1-hexanolFL/FR
2-octen-1-olFL/FR
(E)-2-octen-1-olFL/FR
floral
 geranium oilFL/FR
 geranium oil bourbonFL/FR
 linalyl isobutyrateFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) russiaFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 tropical iononeFL/FR
fruity
 benzyl isobutyrateFL/FR
isobutyl acetoacetateFL/FR
 citronellyl anthranilateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl butyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl lactateFL/FR
 ethyl propionateFL/FR
(E,E)-ethyl sorbateFL/FR
2-furyl pentyl ketoneFL
2-hexen-1-olFL/FR
 menthyl isovalerateFL/FR
 methyl anthranilateFL/FR
 methyl heptanoateFL/FR
(E)-propyl 2-furan acrylateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
isopropyl formateFL/FR
 propyl hexanoateFL/FR
isopropyl octanoateFL/FR
 strawberry glycidate 2FL/FR
 terpinyl valerateFL/FR
 vanilla carboxylateFL/FR
green
 anethum graveolens herb tinctureFL/FR
isobutyl angelateFL/FR
 celery ketoneFL/FR
 clary sage absoluteFL/FR
(E)-2-heptenalFL
 hexyl isobutyrateFL/FR
 methyl heptadienoneFL/FR
2-phenyl propyl alcoholFL/FR
herbal
 anethum graveolens herb oilFL/FR
wild carrot seed oil terpenelessFL/FR
 daucus carota fruit oilFL/FR
 dihydroanetholFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 lovage tinctureFL/FR
 ocimum basilicum herb oilFL/FR
 ocimum basilicum leaf oil americaFL/FR
 ocimum basilicum leaf oil CO2 extractFL/FR
 ocimum basilicum leaf oil indiaFL/FR
curled parsley seed oilFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 thyme absoluteFL/FR
juicy
 lychee mercaptan acetateFL/FR
licorice
2-butyl-3-methyl pyrazineFL
 estragoleFL/FR
 ocimum basilicum herb oil vietnamFL/FR
 ocimum basilicum leaf oil terpenelessFL/FR
nutty
2-acetyl pyrroleFL/FR
powdery
 acetophenoneFL/FR
rummy
isobutyl formateFL/FR
spicy
 cinnamaldehyde dimethyl acetalFL/FR
 cumin seed absoluteFL/FR
 cuminaldehydeFL/FR
black currant bud absoluteFL/FR
 hop oil CO2 extractFL/FR
 murraya koenigii leaf oil indiaFL/FR
2-octanolFL/FR
 tarragon oil replacerFL/FR
annus wormwood oil vietnamFL/FR
sulfurous
S-ethyl thioacetateFL
sweet
 agave flavorFL
 caramel dioneFL
tarragon
 sassafras acetateFL/FR
tropical
 propyl propionateFL/FR
vanilla
 vanilla nut creme flavorFL
waxy
 ethyl decanoateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 aniseFL
 licoriceFL
 pruneFL
 raisinFL
 tobaccoFR
 vanillaFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 pineapple fruit
Search Trop  Picture
Synonyms   Articles   Notes   Search   Top
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)-
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