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Substance Name: Hexyl cyanoacetate
RN: 13361-53-0
InChIKey: PWKKBTPSCGLYBR-UHFFFAOYSA-N

Molecular Formula

  • C9-H15-N-O2

Molecular Weight

  • 169.223
 
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Names and Synonyms

Results Name

  • Hexyl cyanoacetate

Synonyms

  • AI3-07427
  • BRN 2961984
  • EINECS 236-426-0
  • Hexyl cyanoacetate

Systematic Names

  • Acetic acid, cyano-, hexyl ester
  • Hexyl cyanoacetate

Registry Numbers

CAS Registry Number

  • 13361-53-0

System Generated Number

  • 0013361530

Structure Descriptors

InChI

1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3

InChIKey

PWKKBTPSCGLYBR-UHFFFAOYSA-N

Smiles

C(OCCCCCC)(CC#N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 6440mg/kg (6440mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: ULCERATED NASAL SEPTUM: OLFACTION
Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 13FEB1981,