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Substance Name: Ethyl sorbate
RN: 2396-84-1
UNII: HSR16USG4D
InChIKey: OZZYKXXGCOLLLO-TWTPFVCWSA-N

Molecular Formula

  • C8-H12-O2

Molecular Weight

  • 140.181
 
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Names and Synonyms

Results Name

  • Ethyl sorbate

Name of Substance

  • Ethyl sorbate

Synonyms

  • 2,4-Hexadienoic acid, ethyl ester, (E,E)-
  • AI3-11732
  • EINECS 219-258-2
  • Ethyl (E,E)-2,4-hexadienoate
  • Ethyl 2,4-hexadienoate
  • Ethyl 2,4-hexadienoate, (E,E)-
  • Ethyl sorbate
  • FEMA No. 2459
  • NSC 8874
  • Sorbic acid, ethyl ester
  • UNII-HSR16USG4D

Systematic Names

  • 2,4-Hexadienoic acid, ethyl ester (9CI)
  • 2,4-Hexadienoic acid, ethyl ester, (2E,4E)-
  • 2,4-Hexadienoic acid, ethyl ester, (E,E)- (9CI)
  • Ethyl hexa-2,4-dienoate
  • Sorbic acid, ethyl ester

Superlist Name

  • Ethyl sorbate

Registry Numbers

CAS Registry Number

  • 2396-84-1

FDA UNII

  • HSR16USG4D

Other Registry Numbers

  • 5941-48-0
  • 91660-95-6

System Generated Number

  • 0002396841

Structure Descriptors

InChI

1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+

InChIKey

OZZYKXXGCOLLLO-TWTPFVCWSA-N

Smiles

C(\C(OCC)=O)=C\C=C\C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5600mg/kg (5600mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 266, Pg. 1080, 1968.
mouse LD50 oral > 8gm/kg (8000mg/kg)   Comptes Rendus des Seances de l'Academie des Sciences, Serie D: Sciences Naturelles. Vol. 266, Pg. 1080, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 195.5 deg C   EXP
log P (octanol-water) 2.400 (none)   EST
Atmospheric OH Rate Constant 5.15E-11 cm3/molecule-sec 25 EST

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