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Substance Name: 2,4-Hexadien-1-ol, 1-acetate
RN: 1516-17-2
InChIKey: PXVKYPFROMBALG-VNKDHWASSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H12-O2

Molecular Weight

  • 140.181
 
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Names and Synonyms

Synonyms

  • 2,4-Hexadienyl acetate
  • 2,4-Hexadienylester kyseliny octove
  • 2,4-Hexadienylester kyseliny octove [Czech]
  • Acetic acid, 2,4-hexadien-1-ol ester
  • AI3-32962
  • EINECS 216-163-8
  • Sorbyl acetate

Systematic Names

  • 2,4-Hexadien-1-ol, 1-acetate
  • 2,4-Hexadien-1-ol, acetate
  • Acetic acid, 2,4-hexadienyl ester
  • Hexa-2,4-dienyl acetate

Registry Numbers

CAS Registry Number

  • 1516-17-2

System Generated Number

  • 0001516172

Structure Descriptors

InChI

1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+

InChIKey

PXVKYPFROMBALG-VNKDHWASSA-N

Smiles

C(\C=C\C=C\C)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2520uL/kg (2.52mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 4360uL/kg (4.36mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.