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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-NSmiles
OC(\C=C\C)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.