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Substance Name: Methyl sorbate
RN: 689-89-4
UNII: J3048615R1
InChIKey: KWKVAGQCDSHWFK-VNKDHWASSA-N

Molecular Formula

  • C7-H10-O2

Molecular Weight

  • 126.154
 
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Names and Synonyms

Results Name

  • Methyl sorbate

Name of Substance

  • Methyl sorbate

Synonyms

  • 2,4-Hexadienoic acid, methyl ester, (E,E)-
  • 2-trans,4-trans-Methyl sorbate
  • AI3-30202
  • EINECS 211-712-8
  • FEMA No. 3714
  • Methyl (2E,4E)-hexadienoate
  • Methyl 2,4-hexadienoate, (E,E)-
  • Methyl sorbate
  • Methyl sorbate, (E,E)-
  • Sorbic acid, methyl ester
  • Sorbic acid, methyl ester, (E,E)-
  • UNII-J3048615R1

Systematic Names

  • 2,4-Hexadienoic acid, methyl ester, (2E,4E)-
  • 2,4-Hexadienoic acid, methyl ester, (E,E)-
  • Methyl (E,E)-hexa-2,4-dienoate

Superlist Name

  • Methyl sorbate

Registry Numbers

CAS Registry Number

  • 689-89-4

FDA UNII

  • J3048615R1

System Generated Number

  • 0000689894

Structure Descriptors

InChI

1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+

InChIKey

KWKVAGQCDSHWFK-VNKDHWASSA-N

Smiles

C/C=C/C=C/C(=O)OC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
Boiling Point 180 deg C   EXP
log P (octanol-water) 1.910 (none)   EST
Atmospheric OH Rate Constant 5.01E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.