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Substance Name: 2-Butenoic acid, ethyl ester
RN: 10544-63-5
InChIKey: ZFDIRQKJPRINOQ-HWKANZROSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H10-O2

Molecular Weight

  • 114.143
 
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Names and Synonyms

Synonyms

  • 2-02-00-00394 (Beilstein Handbook Reference)
  • AI3-05622
  • BRN 1720418
  • EINECS 234-125-9
  • Ethyl crotonate
  • Ethylester kyseliny krotonove
  • Ethylester kyseliny krotonove [Czech]
  • FEMA No. 3486
  • NSC 4778

Systematic Names

  • 2-Butenoic acid, ethyl ester
  • Crotonic acid, ethyl ester
  • Ethyl crotonate

Superlist Names

  • 2-Butenoic acid, ethyl ester
  • Ethyl crotonate [UN1862] [Flammable liquid]
  • UN1862

Registry Numbers

CAS Registry Number

  • 10544-63-5

System Generated Number

  • 0010544635

Structure Descriptors

InChI

1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+

InChIKey

ZFDIRQKJPRINOQ-HWKANZROSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 10mL/kg (10mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
rat LD50 oral 3gm/kg (3000mg/kg)   Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. Vol. 34, Pg. 183, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 136.5 deg C   EXP
log P (octanol-water) 1.630 (none)   EST
Atmospheric OH Rate Constant 2.15E-11 cm3/molecule-sec 25 EST

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