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Substance Name: trans-Crotonic acid
RN: 107-93-7
UNII: YW5WZZ4O5Q
InChIKey: LDHQCZJRKDOVOX-NSCUHMNNSA-N

Note

  • A stereospecific unsaturated carboxylic acid found in CROTON OIL.

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H6-O2

Molecular Weight

  • 86.0894
 
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Names and Synonyms

Results Name

  • trans-Crotonic acid

Name of Substance

  • Crotonic acid

Synonyms

  • (E)-2-Butenoic acid
  • (E)-Crotonic acid
  • 4-02-00-01498 (Beilstein Handbook Reference)
  • BRN 1719943
  • EC 203-533-9
  • EINECS 203-533-9
  • NSC 8751
  • trans-2-Butenoic acid
  • trans-Crotonic acid
  • UNII-YW5WZZ4O5Q

Systematic Names

  • 2-Butenoic acid, (2E)-
  • 2-Butenoic acid, (E)- (9CI)
  • Crotonic acid, (E)-
  • trans-Crotonic acid

Registry Numbers

CAS Registry Number

  • 107-93-7

FDA UNII

  • YW5WZZ4O5Q

System Generated Number

  • 0000107937

Structure Descriptors

InChI

1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+

InChIKey

LDHQCZJRKDOVOX-NSCUHMNNSA-N

Smiles

OC(\C=C\C)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72 deg C   EXP
Boiling Point 184.7 deg C   EXP
pKa Dissociation Constant 4.17 (none) 18 EXP
log P (octanol-water) 0.850 (none)   EST
Water Solubility 9.40E+04 mg/L 25 EXP
Henry's Law Constant 4.53E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.04E-11 cm3/molecule-sec 25 EST

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