Hexa-2,4-dienoic acid methyl ester

HCID 61197
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Basic information

CAS
1515-80-6
Standard SMILES
CC=CC=CC(=O)OC
InChIKey
KWKVAGQCDSHWFK-UHFFFAOYSA-N
Molecular formula
C7H10O2
Average molar mass
126.15 g/mol
Monoisotopic mass
126.06807956

Names & identifiers

Preferred name
Hexa-2,4-dienoic acid methyl ester
IUPAC
methyl hexa-2,4-dienoate
English name
Methyl sorbate
Molecular formula
C7H10O2
Molecular weight
126.15

Names & synonyms

1515-80-6Hexa-2,4-dienoic acid methyl esterMETHYLSORBATESCHEMBL166360DTXSID30878956AKOS017259722NS00081291methyl hexa-2,4-dienoateFEMA 3714Methyl Sorbate >METHYL 2,4-HEXADIENOATESORBIC ACID METHYL ESTERMETHYL SORBATE USP/EP/BP
Show more names
METHYL T2 T4 HEXADIENOATE2,4-Hexadienoic acid methylmethyl (2E,4Z)-hexa-2,4-dienoate2,4-HEXADIENOIC ACID METHYL ESTER

Database identifiers

CAS
1515-80-6
PubChem CID
61197
DTXSID
DTXSID30878956
EC Number
216-160-1

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

Physicochemical properties

Melting point
8 °C · 8°C
Boiling point
180 °C · 180 °C(lit.)
Density
0.968 g/mL · 0.968 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.503(lit.)
Flash point
158 °F · 158 °F
storage temp.
Amber Vial, Refrigerator

Safety & regulation

Safety data

wgk
3
hs_code
2916199590
risk_code
36/38
Signal word
Warning
Symbol(GHS)
GHS02,GHS07
hazard_code
Xi

Chemistry & industry

Applications

UsesSorbic Acid Methyl Ester is a volatile flavor compound extracted from soursop (Annona muricata).

Suppliers65 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]

Additional notes

DefinitionChEBI: Methyl sorbate is a fatty acid ester.

Related reactions

3 records
New reaction record

Compound notes

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