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Substance Name: 5(or 4)-Hexenoic acid, 4(or 6)-(acetyloxy)-
RN: 83145-58-8
InChIKey: OGLBQMIRAQXHHD-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H12-O4

Molecular Weight

  • 172.179
 
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Names and Synonyms

Synonyms

  • 4(or 6)-(Acetyloxy)-5(or 4)-hexenoic acid
  • CP 96320
  • NCD-1001

Systematic Names

  • 5(or 4)-Hexenoic acid, 4(or 6)-(acetyloxy)-
  • 5-Hexenoic acid, 4-(acetyloxy)-

Registry Numbers

CAS Registry Number

  • 83145-58-8

System Generated Number

  • 0083145588

Structure Descriptors

InChI

1S/C8H12O4/c1-3-7(12-6(2)9)4-5-8(10)11/h3,7H,1,4-5H2,2H3,(H,10,11)

InChIKey

OGLBQMIRAQXHHD-UHFFFAOYSA-N

Smiles

C(CC[C@@H](C=C)OC(=O)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 3103mg/kg (3103mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0545618,
rat LD50 oral 543mg/kg (543mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0545618,