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Substance Name: Ethyl crotonate
RN: 623-70-1
UNII: 99YUC7A1X1
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

Name of Substance

  • Ethyl crotonate

Synonyms

  • 2-Butenoic acid, ethyl ester, (E)-
  • 4-02-00-01500 (Beilstein Handbook Reference)
  • alpha-Crotonic acid ethyl ester, (E)-
  • BRN 0635834
  • Crotonate d'ethyle, (E)-
  • EINECS 210-808-7
  • Ethyl (E)-2-butenoate
  • Ethyl (E)-crotonate
  • Ethyl 2-butenoate, (E)-
  • Ethyl trans-2-butenoate
  • Ethyl trans-crotonate
  • trans-2-Butenoic acid ethyl ester
  • UNII-99YUC7A1X1

Systematic Names

  • 2-Butenoic acid, ethyl ester, (2E)-
  • 2-Butenoic acid, ethyl ester, (E)- (9CI)
  • Crotonic acid, ethyl ester, (E)-
  • Ethyl (E)-crotonate

Superlist Name

  • Ethyl crotonate (E)

Registry Numbers

CAS Registry Number

  • 623-70-1

FDA UNII

  • 99YUC7A1X1

Other Registry Number

  • 77825-56-0

System Generated Number

  • 0000623701

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 > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 19, Pg. 115, 1981.
rat LD50 oral 3gm/kg (3000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 138 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.