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Substance Name: 2-Butenoic acid, hexyl ester
RN: 19089-92-0
InChIKey: MZNHUHNWGVUEAT-XBXARRHUSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H18-O2

Molecular Weight

  • 170.25
 
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Names and Synonyms

Synonyms

  • 2-Butenoic acid, hexyl ester
  • AI3-04687
  • BRN 2431113
  • Crotonic acid, hexyl ester
  • EINECS 242-808-8
  • FEMA No. 3354
  • Hexyl 2-butenoate
  • Hexyl crotonate
  • n-Hexyl 2-butenoate
  • n-Hexyl 2-butenoate (natural)
  • NSC 67983

Systematic Names

  • 2-Butenoic acid, hexyl ester
  • Crotonic acid, hexyl ester
  • Hexyl 2-butenoate

Superlist Name

  • Hexyl 2-butenoate

Registry Numbers

CAS Registry Number

  • 19089-92-0

System Generated Number

  • 0019089920

Structure Descriptors

InChI

1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4+

InChIKey

MZNHUHNWGVUEAT-XBXARRHUSA-N

Smiles

C(OCCCCCC)(\C=C\C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 715, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 715, 1982.