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Substance Name: 2-Butenoic acid, 2-methyl-, methyl ester, (2E)-
RN: 6622-76-0
InChIKey: YYJWBYNQJLBIGS-SNAWJCMRSA-N

Molecular Formula

  • C6-H10-O2

Molecular Weight

  • 114.143
 
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Names and Synonyms

Synonyms

  • 2-Carbomethoxy-2-butene, (E)-
  • 4-02-00-01553 (Beilstein Handbook Reference)
  • AI3-35988
  • BRN 1720455
  • Crotonic acid, 2-methyl-, methyl ester, (E)-
  • EINECS 229-575-8
  • Methyl (E)-2-methylcrotonate
  • Methyl alpha-methylcrotonate
  • Methyl tiglate
  • Methyl trans-2-methyl-2-butenoate
  • Methyl trans-2-methylcrotonate
  • NSC 55277

Systematic Names

  • 2-Butenoic acid, 2-methyl-, methyl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, methyl ester, (E)-
  • Crotonic acid, 2-methyl-, methyl ester, (E)- (8CI)
  • Methyl 2-methylcrotonate
  • Tiglic acid, methyl ester (6CI,7CI)

Registry Numbers

CAS Registry Number

  • 6622-76-0

System Generated Number

  • 0006622760

Structure Descriptors

InChI

1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+

InChIKey

YYJWBYNQJLBIGS-SNAWJCMRSA-N

Smiles

C(\C(OC)=O)(=C\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 387, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 387, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 139 deg C   EXP
log P (octanol-water) 1.690 (none)   EST
Atmospheric OH Rate Constant 3.09E-11 cm3/molecule-sec 25 EST

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