Basic information
- CAS
1515-80-6- Standard SMILES
C/C=C\C=C\C(=O)OC- InChIKey
KWKVAGQCDSHWFK-DNVGVPOPSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Methyl 2,4-hexadienoate
- IUPAC
- methyl (2E,4Z)-hexa-2,4-dienoate
- English name
- Methyl sorbate
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
Methyl 2,4-hexadienoateRefChem:812945methyl (2E,4Z)-hexa-2,4-dienoate30361-31-01515-80-6SCHEMBL821214DTXSID801304405NSC33701Methyl (2E,4Z)-2,4-hexadienoateNSC-33701trans,cis-hexa-2,4-dienoic acid methyl ester2,4-Hexadienoic acid, methyl ester, (2E,4Z)-
Show more names
methyl hexa-2,4-dienoateFEMA 3714Methyl Sorbate >METHYL 2,4-HEXADIENOATESORBIC ACID METHYL ESTERMETHYL SORBATE USP/EP/BPMETHYL T2 T4 HEXADIENOATE2,4-Hexadienoic acid methyl2,4-HEXADIENOIC ACID METHYL ESTER
Database identifiers
- CAS
1515-80-6、30361-31-0- PubChem CID
- 5355366
- DTXSID
DTXSID801304405- EC Number
- 216-160-1
- Nikkaji
- J1.668.832K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Density0.933-0.938
Solubility
Slightly soluble in water; miscible in oils
soluble (in ethanol)
Boiling Point180 °C
Refractive Index1.501-1.505
Physical Descriptioncolourless to light yellow liquid; fruity, sweet, anise aroma
Physicochemical properties
- Melting point
- 8 °C · 8 °C
- Boiling point
- 174 °C · 174 °C
- Density
- 0.96 · 0.96
- refractive index
- 1.5 · 1.50
- Flash point
- 63 °C · 63 °C
- storage temp.
- Amber Vial, Refrigerator
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 2916199590
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H227
- Precautionary statements
- P501-P210-P280-P370+P378-P403+P235
Chemistry & industry
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Applications
UsesSorbic Acid Methyl Ester is a volatile flavor compound extracted from soursop (Annona muricata).
Suppliers64 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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