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methyl sorbate
methyl 2,4-hexadienoate

Supplier Sponsors

Name:methyl hexa-2,4-dienoate
CAS Number: 1515-80-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-160-1
FDA UNII: Search
MDL:MFCD00038319
XlogP3-AA:1.60 (est)
Molecular Weight:126.15510000
Formula:C7 H10 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
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
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 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: 146.00 °F. TCC ( 63.10 °C. ) (est)
logP (o/w): 1.906 (est)
Soluble in:
 alcohol
 water, 2236 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
2,4-Hexadienoic acid,methyl ester
Frinton Laboratories
For experimental / research use only.
Methyl Sorbate
Parchem
methyl sorbate
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Sorbate
Synerzine
Methyl Sorbate
TCI AMERICA
For experimental / research use only.
Methyl Sorbate >98.0%(GC)
 
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:
flavoring agents
Recommendation for methyl sorbate usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61197
National Institute of Allergy and Infectious Diseases:Data
methyl hexa-2,4-dienoate
Chemidplus:0001515806
 
References:
 methyl hexa-2,4-dienoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):61197
Pubchem (sid):135036900
 
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
HMDB (The Human Metabolome Database):HMDB29582
FooDB:FDB000739
Export Tariff Code:2916.19.5000
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
anisic
dihydroanethol
FL/FR
sassafras acetate
FL/FR
caramellic
caramel pentadione
FL/FR
fruity
(E,E)-
ethyl sorbate
FL/FR
herbal
petitgrain heptane
FR
tricyclo(5.2.1.02,6)dec-3-enyl acetate
FR
licorice
(E)-
anethol
FL/FR
minty
carvone
FL/FR
bitter
fennel seed oil lithuania
CS
musty
2-
acetyl pyrrole
FL/FR
For Flavor
No flavor group found for these
carvone
FL/FR
anise
anise
(E)-
anethol
FL/FR
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
caramellic
caramel pentadione
FL/FR
fruity
(E,E)-
ethyl sorbate
FL/FR
(E,E)-
methyl sorbate
FL
herbal
dihydroanethol
FL/FR
licorice
2-
butyl-3-methyl pyrazine
FL
nutty
2-
acetyl pyrrole
FL/FR
tarragon
sassafras acetate
FL/FR
 
Potential Uses:
FLanise
FLprune
FRtobacco
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
2,4-hexadienoic acid methyl ester
2,4-hexadienoic acid, methyl ester
 methyl 2,4-hexadienoate
 methyl hexa-2,4-dienoate
 sorbic acid methyl ester
 

Articles:

PubMed:The asymmetric syntheses of methyl D-digitoxoside, L-oleandrose and L-cymarose from methyl sorbate, an achiral precursor.
PubMed:Facile synthesis of main-chain degradable block copolymers for performance enhanced dismantlable adhesion.
PubMed:Reactivity of acyclic (pentadienyl)iron(1+) cations: synthetic studies directed toward the frondosins.
PubMed:Cohesive force change induced by polyperoxide degradation for application to dismantlable adhesion.
PubMed:2-Amino-4-methyl-pyridinium hexa-2,4-dienoate dihydrate.
PubMed:Ozonolysis of lignin models in aqueous solution: anisole, 1,2-dimethoxybenzene, 1,4-dimethoxybenzene, and 1,3,5-trimethoxybenzene.
PubMed:Developing an asymmetric, stereodivergent route to selected 6-deoxy-6-fluoro-hexoses.
PubMed:Photoinitiated polymerization of columnar stacks of self-assembled trialkyl-1,3,5-benzenetricarboxamide derivatives.
PubMed:A simple and efficient synthesis of optically pure tricarbonyl(methyl 6-oxo-2,4-hexadienoate)iron.
PubMed:The dimers of methyl sorbate.
 
Notes:
Flavouring ingredient
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